(phenylmethyl) 7-[(E)-1-methoxy-2-phenyl-ethenyl]-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-[(E)-1-methoxy-2-phenyl-ethenyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-[(E)-1-methoxy-2-phenyl-vinyl]-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-[(E)-1-methoxy-2-phenylethenyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(E)-1-methoxy-2-phenylethenyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-[(E)-1-methoxy-2-phenyl-vinyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=CC1=CC=CC=C1)C2=CCCCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CO/C(=C/C1=CC=CC=C1)/C2=CCCCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-26-22(17-19-11-5-2-6-12-19)21-15-9-4-10-16-24(21)23(25)27-18-20-13-7-3-8-14-20/h2-3,5-8,11-15,17H,4,9-10,16,18H2,1H3/b22-17+