diethyl 2-(2-chlorophenyl)-4-methyl-6-[(phenylmethyl)amino]cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: diethyl 2-(2-chlorophenyl)-4-methyl-6-[(phenylmethyl)amino]cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: diethyl 6-(benzylamino)-2-(2-chlorophenyl)-4-methyl-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: 2-(2-chlorophenyl)-4-methyl-6-[(phenylmethyl)amino]cyclohexa-3,5-diene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-(benzylamino)-2-(2-chlorophenyl)-4-methylcyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: 6-(benzylamino)-2-(2-chlorophenyl)-4-methyl-cyclohexa-3,5-diene-1,3-dicarboxylic acid diethyl ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(C=C1NCC2=CC=CC=C2)C)C(=O)OCC)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1C(C(=C(C=C1NCC2=CC=CC=C2)C)C(=O)OCC)C3=CC=CC=C3Cl

InChI

InChI=1S/C26H28ClNO4/c1-4-31-25(29)22-17(3)15-21(28-16-18-11-7-6-8-12-18)24(26(30)32-5-2)23(22)19-13-9-10-14-20(19)27/h6-15,23-24,28H,4-5,16H2,1-3H3