2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-methoxyphenyl)methyl]-2-methyl-indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-methoxyphenyl)methyl]-2-methyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-[(3-methoxyphenyl)methyl]-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-1-[(3-methoxyphenyl)methyl]-2-methyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-[(3-methoxyphenyl)methyl]-2-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-m-anisyl-2-methyl-indol-4-yl]oxyacetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC=C2OCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC=C2OCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H22N2O5/c1-13-16(10-19(22)24)21-17(7-4-8-18(21)28-12-20(25)26)23(13)11-14-5-3-6-15(9-14)27-2/h3-9H,10-12H2,1-2H3,(H2,22,24)(H,25,26)