[2-chloranyl-7-[(2S)-1-(2-dimethylaminoethylamino)-2-oxidanyl-1-oxidanylidene-butan-2-yl]-12-ethyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-8-yl]methyl propanoate

Systemtic Name: [2-chloranyl-7-[(2S)-1-(2-dimethylaminoethylamino)-2-oxidanyl-1-oxidanylidene-butan-2-yl]-12-ethyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-8-yl]methyl propanoate Openeye Name: [2-chloro-7-[(1S)-1-(2-dimethylaminoethylcarbamoyl)-1-hydroxy-propyl]-12-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl propanoate CAS Name: propanoic acid [2-chloro-7-[(2S)-1-(2-dimethylaminoethylamino)-2-hydroxy-1-oxobutan-2-yl]-12-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl ester IUPAC Name: [2-chloro-7-[(2S)-1-(2-dimethylaminoethylamino)-2-hydroxy-1-oxobutan-2-yl]-12-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl propanoate Traditional Name: propionic acid [2-chloro-7-[(1S)-1-(2-dimethylaminoethylcarbamoyl)-1-hydroxy-propyl]-12-ethyl-9-keto-11H-indolizino[1,2-b]quinolin-8-yl]methyl ester Formula: C29H35ClN4O5 MolecularWeight: 555.065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)COC(=O)CC)C(CC)(C(=O)NCCN(C)C)O)Cl

Isomeric SMILES

CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)COC(=O)CC)[C@@](CC)(C(=O)NCCN(C)C)O)Cl

InChI

InChI=1S/C29H35ClN4O5/c1-6-18-19-13-17(30)9-10-23(19)32-26-20(18)15-34-24(26)14-22(21(27(34)36)16-39-25(35)7-2)29(38,8-3)28(37)31-11-12-33(4)5/h9-10,13-14,38H,6-8,11-12,15-16H2,1-5H3,(H,31,37)/t29-/m0/s1