methyl 5-methoxy-2-[phenylcarbonyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 5-methoxy-2-[phenylcarbonyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 2-[benzoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-5-methoxy-benzoate CAS Name: 2-[benzoyl-[2-(4-phenyl-1-piperazinyl)ethyl]amino]-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[benzoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]-5-methoxybenzoate Traditional Name: 2-[benzoyl-[2-(4-phenylpiperazino)ethyl]amino]-5-methoxy-benzoic acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H31N3O4/c1-34-24-13-14-26(25(21-24)28(33)35-2)31(27(32)22-9-5-3-6-10-22)20-17-29-15-18-30(19-16-29)23-11-7-4-8-12-23/h3-14,21H,15-20H2,1-2H3