(2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-(4-ethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(1-cyclohexenyl)ethylammonio]-4-(4-ethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-(4-ethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-(4-ethylanilino)-4-keto-butyrate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CCCCC2

InChI

InChI=1S/C20H28N2O3/c1-2-15-8-10-17(11-9-15)22-19(23)14-18(20(24)25)21-13-12-16-6-4-3-5-7-16/h6,8-11,18,21H,2-5,7,12-14H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1