2-[3-(2-azanylethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanylethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid Openeye Name: 2-[3-(2-aminoethyl)-1-benzyl-2-methyl-indol-5-yl]oxyacetic acid CAS Name: 2-[[3-(2-aminoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-aminoethyl)-1-benzyl-2-methylindol-5-yl]oxyacetic acid Traditional Name: 2-[3-(2-aminoethyl)-1-benzyl-2-methyl-indol-5-yl]oxyacetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)CCN

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)CCN

InChI

InChI=1S/C20H22N2O3/c1-14-17(9-10-21)18-11-16(25-13-20(23)24)7-8-19(18)22(14)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13,21H2,1H3,(H,23,24)