(2R)-4-(4-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-2-[2-(1H-indol-3-yl)ethylammonio]-4-keto-4-p-phenetyl-butyrate Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O4/c1-2-28-17-9-7-15(8-10-17)21(25)13-20(22(26)27)23-12-11-16-14-24-19-6-4-3-5-18(16)19/h3-10,14,20,23-24H,2,11-13H2,1H3,(H,26,27)/t20-/m1/s1