2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-(phenylmethyl)indol-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)-3-benzyl-2-ethyl-indol-6-yl]-4-oxo-butanoic acid CAS Name: 2-[1-(2-amino-2-oxoethyl)-2-ethyl-3-(phenylmethyl)-6-indolyl]-4-oxobutanoic acid IUPAC Name: 2-[1-(2-amino-2-oxoethyl)-3-benzyl-2-ethylindol-6-yl]-4-oxobutanoic acid Traditional Name: 2-[1-(2-amino-2-keto-ethyl)-3-benzyl-2-ethyl-indol-6-yl]-4-keto-butyric acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)C(CC=O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C2=C(N1CC(=O)N)C=C(C=C2)C(CC=O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-2-20-19(12-15-6-4-3-5-7-15)18-9-8-16(17(10-11-26)23(28)29)13-21(18)25(20)14-22(24)27/h3-9,11,13,17H,2,10,12,14H2,1H3,(H2,24,27)(H,28,29)