methyl 2-[(3S)-2-oxidanylidene-3-(4-phenylbutanoylamino)azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-2-oxidanylidene-3-(4-phenylbutanoylamino)azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S)-2-oxo-3-(4-phenylbutanoylamino)azepan-1-yl]acetate CAS Name: 2-[(3S)-2-oxo-3-[(1-oxo-4-phenylbutyl)amino]-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-2-oxo-3-(4-phenylbutanoylamino)azepan-1-yl]acetate Traditional Name: 2-[(3S)-2-keto-3-(4-phenylbutanoylamino)azepan-1-yl]acetic acid methyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCCCC(C1=O)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1CCCC[C@@H](C1=O)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O4/c1-25-18(23)14-21-13-6-5-11-16(19(21)24)20-17(22)12-7-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,20,22)/t16-/m0/s1