butyl 2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanoate

Systemtic Name: butyl 2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanoate Openeye Name: butyl 2-[4-(2-benzyloxy-1-methyl-ethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]propanoate CAS Name: 2-[7-oxo-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanoic acid butyl ester IUPAC Name: butyl 2-[7-oxo-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanoate Traditional Name: 2-[4-(2-benzoxy-1-methyl-ethyl)-7-keto-3,6-dihydro-2H-azepin-1-yl]propionic acid butyl ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1CCC(=CCC1=O)C(C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C(C)N1CCC(=CCC1=O)C(C)COCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO4/c1-4-5-15-28-23(26)19(3)24-14-13-21(11-12-22(24)25)18(2)16-27-17-20-9-7-6-8-10-20/h6-11,18-19H,4-5,12-17H2,1-3H3