methyl 4-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propanoylamino]benzoate CAS Name: 4-[[2-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propanoylamino]benzoate Traditional Name: 4-[2-[4-(1-naphthoyl)piperazino]propanoylamino]benzoic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O4/c1-18(24(30)27-21-12-10-20(11-13-21)26(32)33-2)28-14-16-29(17-15-28)25(31)23-9-5-7-19-6-3-4-8-22(19)23/h3-13,18H,14-17H2,1-2H3,(H,27,30)