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

Systemtic Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetylanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-acetylanilino)-2-[2-(1-cyclohexenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetylanilino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-acetylanilino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-butyrate Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-14(23)16-7-9-17(10-8-16)22-19(24)13-18(20(25)26)21-12-11-15-5-3-2-4-6-15/h5,7-10,18,21H,2-4,6,11-13H2,1H3,(H,22,24)(H,25,26)/t18-/m1/s1