2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]amino]ethanoic acid Openeye Name: 2-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-4-yl]amino]acetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]amino]acetic acid IUPAC Name: 2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl]amino]acetic acid Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-4-yl]amino]acetic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2NCC(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2NCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H23N3O3/c1-2-17-15(11-19(22)25)21-16(23-12-20(26)27)9-6-10-18(21)24(17)13-14-7-4-3-5-8-14/h3-10,23H,2,11-13H2,1H3,(H2,22,25)(H,26,27)