2-[[7-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[7-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[1-[(4-hydroxy-3-isopropyl-phenyl)methyl]-7-methyl-indol-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-7-methyl-4-indolyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-7-methylindol-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[1-(4-hydroxy-3-isopropyl-benzyl)-7-methyl-indol-4-yl]amino]-2-keto-acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C(=O)O)C=CN2CC3=CC(=C(C=C3)O)C(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C(=O)O)C=CN2CC3=CC(=C(C=C3)O)C(C)C

InChI

InChI=1S/C21H22N2O4/c1-12(2)16-10-14(5-7-18(16)24)11-23-9-8-15-17(22-20(25)21(26)27)6-4-13(3)19(15)23/h4-10,12,24H,11H2,1-3H3,(H,22,25)(H,26,27)