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

Systemtic Name: 3-[4-[1-[4-(aminomethyl)phenyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[4-(aminomethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-[4-(aminomethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[4-(aminomethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-27-18-13-23(17-9-4-15(12-22)5-10-17)21(26)20(18)16-7-2-14(3-8-16)6-11-19(24)25/h2-5,7-10H,6,11-13,22H2,1H3,(H,24,25)