methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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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=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-17(26)21-8-6-7-19(15-21)16-23(25(30)31-3)18(2)27-24(29)20-9-11-22(12-10-20)28-13-4-5-14-28/h4-15,18,23H,1,16,26H2,2-3H3,(H,27,29)