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

Systemtic Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[2,4-dimethyl-5-(2-morpholin-4-ylethylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate Openeye Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[2,4-dimethyl-5-(2-morpholinoethylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate CAS Name: 3-[2,4-dimethyl-5-[2-(4-morpholinyl)ethylamino]-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-[2,4-dimethyl-5-(2-morpholin-4-ylethylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoate Traditional Name: 3-[3,6-diketo-2,4-dimethyl-5-(2-morpholinoethylamino)cyclohexa-1,4-dien-1-yl]-3-methyl-butyric acid [2-[bis(2-chloroethyl)amino]phenyl] ester Formula: C29H39Cl2N3O5 MolecularWeight: 580.54306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)NCCN2CCOCC2)C(C)(C)CC(=O)OC3=CC=CC=C3N(CCCl)CCCl

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)NCCN2CCOCC2)C(C)(C)CC(=O)OC3=CC=CC=C3N(CCCl)CCCl

InChI

InChI=1S/C29H39Cl2N3O5/c1-20-25(28(37)26(21(2)27(20)36)32-11-14-33-15-17-38-18-16-33)29(3,4)19-24(35)39-23-8-6-5-7-22(23)34(12-9-30)13-10-31/h5-8,32H,9-19H2,1-4H3