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

Systemtic Name: 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoic acid Openeye Name: 2-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxymethyl]benzoic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxymethyl]benzoic acid Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxymethyl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)O)CC(=O)N

InChI

InChI=1S/C27H26N2O4/c1-2-24-23(15-26(28)30)22-14-20(33-17-19-10-6-7-11-21(19)27(31)32)12-13-25(22)29(24)16-18-8-4-3-5-9-18/h3-14H,2,15-17H2,1H3,(H2,28,30)(H,31,32)