2-[[2-[(1-methylpyrrol-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(1-methylpyrrol-2-yl)carbonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-3-phenyl-propionic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-25-13-7-12-19(25)21(27)23-17-11-6-5-10-16(17)20(26)24-18(22(28)29)14-15-8-3-2-4-9-15/h2-13,18H,14H2,1H3,(H,23,27)(H,24,26)(H,28,29)