3-[4-[1-[3-(2-azanylethyl)phenyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-[3-(2-azanylethyl)phenyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[3-(2-aminoethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-[3-(2-aminoethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[3-(2-aminoethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[3-(2-aminoethyl)phenyl]-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-28-19-14-24(18-4-2-3-16(13-18)11-12-23)22(27)21(19)17-8-5-15(6-9-17)7-10-20(25)26/h2-6,8-9,13H,7,10-12,14,23H2,1H3,(H,25,26)