O4-ethyl O1-(phenylmethyl) 4-methylazepane-1,4-dicarboxylate

Systemtic Name: O4-ethyl O1-(phenylmethyl) 4-methylazepane-1,4-dicarboxylate Openeye Name: O1-benzyl O4-ethyl 4-methylazepane-1,4-dicarboxylate CAS Name: 4-methylazepane-1,4-dicarboxylic acid O4-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-ethyl 4-methylazepane-1,4-dicarboxylate Traditional Name: 4-methylazepane-1,4-dicarboxylic acid O1-benzyl ester O4-ethyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(CC1)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1(CCCN(CC1)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H25NO4/c1-3-22-16(20)18(2)10-7-12-19(13-11-18)17(21)23-14-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3