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

Systemtic Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[2,5-dimethyl-3,6-bis(oxidanylidene)-4-propyl-cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate Openeye Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-(2,5-dimethyl-3,6-dioxo-4-propyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butanoate CAS Name: 3-(2,5-dimethyl-3,6-dioxo-4-propyl-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid [2-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-(2,5-dimethyl-3,6-dioxo-4-propylcyclohexa-1,4-dien-1-yl)-3-methylbutanoate Traditional Name: 3-(3,6-diketo-2,5-dimethyl-4-propyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyric acid [2-[bis(2-chloroethyl)amino]phenyl] ester Formula: C26H33Cl2NO4 MolecularWeight: 494.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl)C

Isomeric SMILES

CCCC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl)C

InChI

InChI=1S/C26H33Cl2NO4/c1-6-9-19-17(2)25(32)23(18(3)24(19)31)26(4,5)16-22(30)33-21-11-8-7-10-20(21)29(14-12-27)15-13-28/h7-8,10-11H,6,9,12-16H2,1-5H3