3-[1-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[4-(2-amino-2-oxo-ethyl)phenyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[4-(2-amino-2-oxoethyl)phenyl]-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[4-(2-amino-2-oxoethyl)phenyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[4-(2-amino-2-keto-ethyl)phenyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)CC(=O)N)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)CC(=O)N)CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-28-19-10-4-16(5-11-19)20-12-8-18(9-13-22(26)27)24(20)17-6-2-15(3-7-17)14-21(23)25/h2-8,10-12H,9,13-14H2,1H3,(H2,23,25)(H,26,27)