[2-[2-[4-[1-chloranyl-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]butyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyethanoate

Systemtic Name: [2-[2-[4-[1-chloranyl-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]butyl-methyl-amino]ethyl]-6-fluoranyl-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyethanoate Openeye Name: [2-[2-[4-(1-chloro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)butyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [2-[2-[4-(1-chloro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)butyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester IUPAC Name: [2-[2-[4-(1-chloro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)butyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [2-[2-[4-(1-chloro-6,11-diketo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)butyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] ester Formula: C35H45ClFN3O5 MolecularWeight: 642.200303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=C(CCC1(CCN(C)CCCCN3C4=C(C(=CC=C4)Cl)C(=O)N5CCCC5C3=O)OC(=O)COC)C=C(C=C2)F

Isomeric SMILES

CC(C)C1C2=C(CCC1(CCN(C)CCCCN3C4=C(C(=CC=C4)Cl)C(=O)N5CCCC5C3=O)OC(=O)COC)C=C(C=C2)F

InChI

InChI=1S/C35H45ClFN3O5/c1-23(2)32-26-13-12-25(37)21-24(26)14-15-35(32,45-30(41)22-44-4)16-20-38(3)17-5-6-18-39-28-10-7-9-27(36)31(28)34(43)40-19-8-11-29(40)33(39)42/h7,9-10,12-13,21,23,29,32H,5-6,8,11,14-20,22H2,1-4H3