2-(4-methyl-2-oxidanylidene-azepan-1-yl)-3-phenyl-propanoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-azepan-1-yl)-3-phenyl-propanoate Openeye Name: 2-(4-methyl-2-oxo-azepan-1-yl)-3-phenyl-propanoate CAS Name: 2-(4-methyl-2-oxo-1-azepanyl)-3-phenylpropanoate IUPAC Name: 2-(4-methyl-2-oxoazepan-1-yl)-3-phenylpropanoate Traditional Name: 2-(2-keto-4-methyl-azepan-1-yl)-3-phenyl-propionate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1)C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1CCCN(C(=O)C1)C(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-12-6-5-9-17(15(18)10-12)14(16(19)20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,19,20)/p-1