[4-[(E)-[4-(diphenylmethyl)piperazin-1-yl]iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-[4-(diphenylmethyl)piperazin-1-yl]iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[4-(diphenylmethyl)-1-piperazinyl]iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(4-benzhydrylpiperazino)iminomethyl]-2-methoxy-phenyl] ester Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H30N4O3/c1-37-29-21-24(14-15-28(29)38-31(36)27-13-8-16-32-23-27)22-33-35-19-17-34(18-20-35)30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-16,21-23,30H,17-20H2,1H3/b33-22+