9H-fluoren-9-ylmethyl N-[3-[(2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[3-[(2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[3-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamate CAS Name: N-[3-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamate Traditional Name: N-[3-[(11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]propyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C31H31N3O5/c1-37-28-16-25-27(33-18-20-8-6-14-34(20)30(25)35)17-29(28)38-15-7-13-32-31(36)39-19-26-23-11-4-2-9-21(23)22-10-3-5-12-24(22)26/h2-5,9-12,16-18,20,26H,6-8,13-15,19H2,1H3,(H,32,36)