4-[[(1-ethyl-2,3-dimethyl-indol-5-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-ethyl-2,3-dimethyl-indol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-ethyl-2,3-dimethyl-indole-5-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1-ethyl-2,3-dimethyl-5-indolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-ethyl-2,3-dimethylindole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-ethyl-2,3-dimethyl-indole-5-carbonyl)amino]methyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C21H22N2O3/c1-4-23-14(3)13(2)18-11-17(9-10-19(18)23)20(24)22-12-15-5-7-16(8-6-15)21(25)26/h5-11H,4,12H2,1-3H3,(H,22,24)(H,25,26)