methyl (2S)-2-[(4R)-4-methyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4R)-4-methyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4R)-4-methyl-2-oxo-azepan-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(4R)-4-methyl-2-oxo-1-azepanyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4R)-4-methyl-2-oxoazepan-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(4R)-2-keto-4-methyl-azepan-1-yl]-3-phenyl-propionic acid methyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCN(C(=O)C1)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H23NO3/c1-13-7-6-10-18(16(19)11-13)15(17(20)21-2)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/t13-,15+/m1/s1