4-oxidanylidene-4-[(2-oxidanyl-1-phenyl-ethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanyl-1-phenyl-ethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[(2-hydroxy-1-phenyl-ethyl)amino]-4-oxo-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoic acid CAS Name: 4-[(2-hydroxy-1-phenylethyl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-[(2-hydroxy-1-phenylethyl)amino]-4-oxo-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[(2-hydroxy-1-phenyl-ethyl)amino]-4-keto-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(=O)CC(C(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CO)NC(=O)CC(C(=O)O)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C27H25N3O4/c31-18-24(22-4-2-1-3-5-22)29-26(32)16-25(27(33)34)30-15-12-23(17-30)20-8-6-19(7-9-20)21-10-13-28-14-11-21/h1-15,17,24-25,31H,16,18H2,(H,29,32)(H,33,34)