[2-[bis(2-chloroethyl)amino]phenyl] 3-[5-(3-methoxy-3-oxidanylidene-propyl)-2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate

Systemtic Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[5-(3-methoxy-3-oxidanylidene-propyl)-2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate Openeye Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[5-(3-methoxy-3-oxo-propyl)-2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate CAS Name: 3-[5-(3-methoxy-3-oxopropyl)-2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl]-3-methylbutanoic acid [2-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[5-(3-methoxy-3-oxopropyl)-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoate Traditional Name: 3-[3,6-diketo-5-(3-keto-3-methoxy-propyl)-2,4-dimethyl-cyclohexa-1,4-dien-1-yl]-3-methyl-butyric acid [2-[bis(2-chloroethyl)amino]phenyl] ester Formula: C27H33Cl2NO6 MolecularWeight: 538.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl)CCC(=O)OC

InChI

InChI=1S/C27H33Cl2NO6/c1-17-19(10-11-22(31)35-5)26(34)24(18(2)25(17)33)27(3,4)16-23(32)36-21-9-7-6-8-20(21)30(14-12-28)15-13-29/h6-9H,10-16H2,1-5H3