methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H27N5O4/c1-37-28(36)22-13-5-6-14-24(22)30-25(34)20-10-9-17-32(19-20)27(35)23-18-29-33(21-11-3-2-4-12-21)26(23)31-15-7-8-16-31/h2-8,11-16,18,20H,9-10,17,19H2,1H3,(H,30,34)