3-[[2-[[3-(cyclohexylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propanoate

Systemtic Name: 3-[[2-[[3-(cyclohexylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]azaniumyl]propanoate Openeye Name: 3-[[2-[3-(cyclohexylmethyl)anilino]-2-oxo-ethyl]ammonio]propanoate CAS Name: 3-[[2-[3-(cyclohexylmethyl)anilino]-2-oxoethyl]ammonio]propanoate IUPAC Name: 3-[[2-[3-(cyclohexylmethyl)anilino]-2-oxoethyl]azaniumyl]propanoate Traditional Name: 3-[[2-[3-(cyclohexylmethyl)anilino]-2-keto-ethyl]ammonio]propionate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC(=CC=C2)NC(=O)C[NH2+]CCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC2=CC(=CC=C2)NC(=O)C[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c21-17(13-19-10-9-18(22)23)20-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h4,7-8,12,14,19H,1-3,5-6,9-11,13H2,(H,20,21)(H,22,23)