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

Systemtic Name: methyl 2-azanyl-6-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-amino-6-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 2-amino-6-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-amino-6-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Traditional Name: 2-amino-6-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]benzoic acid methyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(C=CC=C1N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)N

InChI

InChI=1S/C27H32N4O2/c1-33-27(32)26-24(28)13-8-14-25(26)31(21-22-9-4-2-5-10-22)20-17-29-15-18-30(19-16-29)23-11-6-3-7-12-23/h2-14H,15-21,28H2,1H3