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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybenzoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxybenzoic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]benzoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxybenzoic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxybenzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC4=CC=CC(=C4)C(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC4=CC=CC(=C4)C(=O)O)CC(=O)N

InChI

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