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

Systemtic Name: methyl 5-azanyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 5-amino-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 5-amino-2-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Traditional Name: 5-amino-2-[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(=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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