2-[1-[3-[4-(4-cyanophenyl)phenyl]pyrrol-1-yl]-2-[hydroxymethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pentanoic acid

Systemtic Name: 2-[1-[3-[4-(4-cyanophenyl)phenyl]pyrrol-1-yl]-2-[hydroxymethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pentanoic acid Openeye Name: 2-[2-[benzyl(hydroxymethyl)amino]-1-[3-[4-(4-cyanophenyl)phenyl]pyrrol-1-yl]-2-oxo-ethyl]pentanoic acid CAS Name: 2-[1-[3-[4-(4-cyanophenyl)phenyl]-1-pyrrolyl]-2-[hydroxymethyl-(phenylmethyl)amino]-2-oxoethyl]pentanoic acid IUPAC Name: 2-[2-[benzyl(hydroxymethyl)amino]-1-[3-[4-(4-cyanophenyl)phenyl]pyrrol-1-yl]-2-oxoethyl]pentanoic acid Traditional Name: 2-[2-[benzyl(methylol)amino]-1-[3-[4-(4-cyanophenyl)phenyl]pyrrol-1-yl]-2-keto-ethyl]valeric acid Formula: C32H31N3O4 MolecularWeight: 521.60624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)N(CC1=CC=CC=C1)CO)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CCCC(C(C(=O)N(CC1=CC=CC=C1)CO)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C32H31N3O4/c1-2-6-29(32(38)39)30(31(37)35(22-36)20-24-7-4-3-5-8-24)34-18-17-28(21-34)27-15-13-26(14-16-27)25-11-9-23(19-33)10-12-25/h3-5,7-18,21,29-30,36H,2,6,20,22H2,1H3,(H,38,39)