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

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxypropanoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropanoic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]propanoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypropanoic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H22N2O4/c1-14-17(12-20(22)24)18-11-16(27-10-9-21(25)26)7-8-19(18)23(14)13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H2,22,24)(H,25,26)