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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]-2-oxidanyl-propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2-hydroxy-propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2-hydroxypropanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2-hydroxypropanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]-2-hydroxy-propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-29-17-11-24(15-8-2-12(3-9-15)10-16(25)21(27)28)20(26)18(17)13-4-6-14(7-5-13)19(22)23/h2-9,16,25H,10-11H2,1H3,(H3,22,23)(H,27,28)