methyl 5-methoxy-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 5-methoxy-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-5-methoxy-benzoate CAS Name: 5-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]-5-methoxybenzoate Traditional Name: 2-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]-5-methoxy-benzoic acid methyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

InChI

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