methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(6-pyrrol-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(6-pyrrol-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(6-pyrrol-1-ylnicotinoyl)amino]butyric acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C24H26N4O3/c1-16(25)19-8-6-7-18(13-19)14-21(24(30)31-3)17(2)27-23(29)20-9-10-22(26-15-20)28-11-4-5-12-28/h4-13,15,17,21H,1,14,25H2,2-3H3,(H,27,29)