dimethyl 2,5-bis[naphthalen-1-yl(phenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis[naphthalen-1-yl(phenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis[N-(1-naphthyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis[N-(1-naphthalenyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(N-naphthalen-1-ylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis[N-(1-naphthyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C42H34N2O4 MolecularWeight: 630.73036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=C(C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(=O)OC)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(=O)OC)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C42H34N2O4/c1-47-41(45)35-27-40(44(32-21-7-4-8-22-32)38-26-14-18-30-16-10-12-24-34(30)38)36(42(46)48-2)28-39(35)43(31-19-5-3-6-20-31)37-25-13-17-29-15-9-11-23-33(29)37/h3-26H,27-28H2,1-2H3