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

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-keto-butyric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CC=C2)C(=O)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CC=C2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(18(24)10-11-19(25)26)12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3,(H,25,26)