methyl 3-methoxy-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 3-methoxy-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-3-methoxy-benzoate CAS Name: 3-methoxy-2-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-3-methoxybenzoate Traditional Name: 2-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]-3-methoxy-benzoic acid methyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H33N3O3/c1-33-26-15-9-14-25(28(32)34-2)27(26)31(22-23-10-5-3-6-11-23)21-18-29-16-19-30(20-17-29)24-12-7-4-8-13-24/h3-15H,16-22H2,1-2H3