2-[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 2-[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=C(NC3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=C(NC3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C21H22N2O5/c1-11-5-6-13(21(25)26)16(7-11)23-20(24)9-14-12(2)22-17-10-19(28-4)18(27-3)8-15(14)17/h5-8,10,22H,9H2,1-4H3,(H,23,24)(H,25,26)