methyl 3-azanyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 3-azanyl-2-[(phenylmethyl)-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 3-amino-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 3-amino-2-[(phenylmethyl)-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[benzyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Traditional Name: 3-amino-2-[benzyl-[2-(4-phenylpiperazino)ethyl]amino]benzoic acid methyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

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)24-13-8-14-25(28)26(24)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