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

Systemtic Name: methyl 4-oxidanyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-4-hydroxy-benzoate CAS Name: 4-hydroxy-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]-4-hydroxybenzoate Traditional Name: 2-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]-4-hydroxy-benzoic acid methyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-33-27(32)25-13-12-24(31)20-26(25)30(21-22-8-4-2-5-9-22)19-16-28-14-17-29(18-15-28)23-10-6-3-7-11-23/h2-13,20,31H,14-19,21H2,1H3