3-[4-[1-(4-carbamimidoylphenyl)-4-methoxy-5,5-dimethyl-2-oxidanylidene-pyrrol-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-4-methoxy-5,5-dimethyl-2-oxidanylidene-pyrrol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-4-methoxy-5,5-dimethyl-2-oxo-pyrrol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-4-methoxy-5,5-dimethyl-2-oxo-3-pyrrolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-4-methoxy-5,5-dimethyl-2-oxopyrrol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-5,5-dimethyl-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OC)C

Isomeric SMILES

CC1(C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OC)C

InChI

InChI=1S/C23H25N3O4/c1-23(2)20(30-3)19(15-7-4-14(5-8-15)6-13-18(27)28)22(29)26(23)17-11-9-16(10-12-17)21(24)25/h4-5,7-12H,6,13H2,1-3H3,(H3,24,25)(H,27,28)