cyclohexanamine; (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid

Systemtic Name: cyclohexanamine; (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: (3S)-3-benzyl-4-methoxy-4-oxo-butanoic acid; cyclohexanamine CAS Name: cyclohexanamine; (3S)-4-methoxy-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: (3S)-3-benzyl-4-methoxy-4-oxobutanoic acid; cyclohexanamine Traditional Name: (3S)-3-benzyl-4-keto-4-methoxy-butyric acid; cyclohexylamine Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CC(=O)O.C1CCC(CC1)N

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C12H14O4.C6H13N/c1-16-12(15)10(8-11(13)14)7-9-5-3-2-4-6-9;7-6-4-2-1-3-5-6/h2-6,10H,7-8H2,1H3,(H,13,14);6H,1-5,7H2/t10-;/m0./s1