4-[[8-methyl-5-oxidanylidene-2-[(phenylmethyl)carbamoyl]-1H-indolizin-6-yl]methyl]benzoic acid

Systemtic Name: 4-[[8-methyl-5-oxidanylidene-2-[(phenylmethyl)carbamoyl]-1H-indolizin-6-yl]methyl]benzoic acid Openeye Name: 4-[[2-(benzylcarbamoyl)-8-methyl-5-oxo-1H-indolizin-6-yl]methyl]benzoic acid CAS Name: 4-[[8-methyl-5-oxo-2-[oxo-[(phenylmethyl)amino]methyl]-1H-indolizin-6-yl]methyl]benzoic acid IUPAC Name: 4-[[2-(benzylcarbamoyl)-8-methyl-5-oxo-1H-indolizin-6-yl]methyl]benzoic acid Traditional Name: 4-[[2-(benzylcarbamoyl)-5-keto-8-methyl-1H-indolizin-6-yl]methyl]benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(=CN2C(=O)C(=C1)CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C2CC(=CN2C(=O)C(=C1)CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-16-11-20(12-17-7-9-19(10-8-17)25(30)31)24(29)27-15-21(13-22(16)27)23(28)26-14-18-5-3-2-4-6-18/h2-11,15H,12-14H2,1H3,(H,26,28)(H,30,31)