2-[[2,5-dimethyl-4-(oxaldehydoylamino)-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[2,5-dimethyl-4-(oxaldehydoylamino)-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid Openeye Name: 2-[[1-benzyl-2,5-dimethyl-4-(oxaldehydoylamino)pyrrol-3-yl]methyl]benzoic acid CAS Name: 2-[[2,5-dimethyl-4-(oxaldehydoylamino)-1-(phenylmethyl)-3-pyrrolyl]methyl]benzoic acid IUPAC Name: 2-[[1-benzyl-2,5-dimethyl-4-(oxaldehydoylamino)pyrrol-3-yl]methyl]benzoic acid Traditional Name: 2-[[1-benzyl-4-(glyoxyloylamino)-2,5-dimethyl-pyrrol-3-yl]methyl]benzoic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)NC(=O)C=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)NC(=O)C=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22N2O4/c1-15-20(12-18-10-6-7-11-19(18)23(28)29)22(24-21(27)14-26)16(2)25(15)13-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H,28,29)