3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxymethyl]benzoic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC(=C4)C(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC(=C4)C(=O)O)CC(=O)N

InChI

InChI=1S/C26H24N2O4/c1-17-22(14-25(27)29)23-13-21(32-16-19-8-5-9-20(12-19)26(30)31)10-11-24(23)28(17)15-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H2,27,29)(H,30,31)