methyl 2-oxidanyl-6-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 2-oxidanyl-6-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-6-hydroxy-benzoate CAS Name: 2-hydroxy-6-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-6-hydroxybenzoate Traditional Name: 2-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]-6-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=CC=C1O)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CC=C1O)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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