[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoate

Systemtic Name: [2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoate Openeye Name: (2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoic acid (2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl ester IUPAC Name: (2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-(cyclobutylmethoxy)benzoic acid (3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)methyl ester Formula: C26H31Cl2NO5 MolecularWeight: 508.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)COC(=O)C2=CC(=C(C=C2)N(CCCl)CCCl)OCC3CCC3)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)COC(=O)C2=CC(=C(C=C2)N(CCCl)CCCl)OCC3CCC3)C

InChI

InChI=1S/C26H31Cl2NO5/c1-16-17(2)25(31)21(18(3)24(16)30)15-34-26(32)20-7-8-22(29(11-9-27)12-10-28)23(13-20)33-14-19-5-4-6-19/h7-8,13,19H,4-6,9-12,14-15H2,1-3H3