diethyl 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-bis(oxidanylidene)cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-bis(oxidanylidene)cyclohexane-1,3-dicarboxylate Openeye Name: diethyl 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-dioxo-cyclohexane-1,3-dicarboxylate CAS Name: 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-dioxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-dioxocyclohexane-1,3-dicarboxylate Traditional Name: 5-[bis(2-chloroethyl)aminomethyl]-2-(4-hydroxyphenyl)-4,6-diketo-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C23H29Cl2NO7 MolecularWeight: 502.38486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)C(C1=O)CN(CCCl)CCCl)C(=O)OCC)C2=CC=C(C=C2)O

Isomeric SMILES

CCOC(=O)C1C(C(C(=O)C(C1=O)CN(CCCl)CCCl)C(=O)OCC)C2=CC=C(C=C2)O

InChI

InChI=1S/C23H29Cl2NO7/c1-3-32-22(30)18-17(14-5-7-15(27)8-6-14)19(23(31)33-4-2)21(29)16(20(18)28)13-26(11-9-24)12-10-25/h5-8,16-19,27H,3-4,9-13H2,1-2H3