methyl 3-(naphthalen-2-ylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(naphthalen-2-ylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(naphthalene-2-carbonylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[2-naphthalenyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(naphthalene-2-carbonylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(2-naphthoylamino)benzoic acid methyl ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H27N3O4/c1-37-30(36)25-13-14-27(32-15-17-33(18-16-32)29(35)22-8-3-2-4-9-22)26(20-25)31-28(34)24-12-11-21-7-5-6-10-23(21)19-24/h2-14,19-20H,15-18H2,1H3,(H,31,34)