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

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-oxo-butanoate CAS Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethylamino]-4-oxobutanoate IUPAC Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethylamino]-4-oxobutanoate Traditional Name: 4-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenethyl-amino]-4-keto-butyrate Formula: C22H27N2O5- MolecularWeight: 399.46018

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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)/p-1