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

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

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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)OC)OC)C

Isomeric SMILES

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

InChI

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