4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-keto-butyric acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C22H28N2O5/c1-4-29-22(28)21-15(2)18(16(3)23-21)14-24(19(25)10-11-20(26)27)13-12-17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,26,27)