methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethyl-propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethylpropanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]-2,2-dimethyl-propionic acid methyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)OC

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)OC

InChI

InChI=1S/C24H27N3O4/c1-24(2,23(29)31-4)13-15-5-11-18(12-6-15)27-14-19(30-3)20(22(27)28)16-7-9-17(10-8-16)21(25)26/h5-12H,13-14H2,1-4H3,(H3,25,26)