2-(3,4-dimethoxyphenyl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]-2-methyl-piperazine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]-2-methyl-piperazine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 4-[(4-chlorophenyl)-phenyl-methyl]-2-methyl-piperazine-2-carboxylate CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-2-methyl-2-piperazinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 4-[(4-chlorophenyl)-phenylmethyl]-2-methylpiperazine-2-carboxylate Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]-2-methyl-piperazine-2-carboxylic acid homoveratryl ester Formula: C29H33ClN2O4 MolecularWeight: 509.03632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H33ClN2O4/c1-29(28(33)36-18-15-21-9-14-25(34-2)26(19-21)35-3)20-32(17-16-31-29)27(22-7-5-4-6-8-22)23-10-12-24(30)13-11-23/h4-14,19,27,31H,15-18,20H2,1-3H3