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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-chlorophenyl)methyl]-2-methyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-[(3-chlorophenyl)methyl]-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-methyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-(3-chlorobenzyl)-2-methyl-indol-4-yl]oxyacetic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-12-15(9-18(22)24)20-16(6-3-7-17(20)27-11-19(25)26)23(12)10-13-4-2-5-14(21)8-13/h2-8H,9-11H2,1H3,(H2,22,24)(H,25,26)