[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO4/c1-16(17-7-8-19-14-20(26-2)10-9-18(19)13-17)22(25)27-15-21(24)23-11-5-3-4-6-12-23/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3/t16-/m0/s1