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

Systemtic Name: 3-[4-[1-[4-(2-azanylpropan-2-yl)phenyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[4-(1-amino-1-methyl-ethyl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[4-(1-amino-1-methyl-ethyl)phenyl]-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)O)OC)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)O)OC)N

InChI

InChI=1S/C23H26N2O4/c1-23(2,24)17-9-11-18(12-10-17)25-14-19(29-3)21(22(25)28)16-7-4-15(5-8-16)6-13-20(26)27/h4-5,7-12H,6,13-14,24H2,1-3H3,(H,26,27)