phenyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: phenyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: phenyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid phenyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CCCCCN2C(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CCCCCN2C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-23-17-13-11-16(12-14-17)19-10-6-3-7-15-21(19)20(22)24-18-8-4-2-5-9-18/h2,4-5,8-14H,3,6-7,15H2,1H3