ethyl (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylate

Systemtic Name: ethyl (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylate Openeye Name: ethyl (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylate CAS Name: (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylic acid ethyl ester IUPAC Name: ethyl (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylate Traditional Name: (3Z)-7-methyl-9-phenethyl-6-phenyl-2,5-dihydro-1,6-benzoxazocine-8-carboxylic acid ethyl ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1CCC3=CC=CC=C3)OCC=CCN2C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1CCC3=CC=CC=C3)OC/C=C\CN2C4=CC=CC=C4)C

InChI

InChI=1S/C28H29NO3/c1-3-31-28(30)26-21(2)27-25(20-23(26)17-16-22-12-6-4-7-13-22)32-19-11-10-18-29(27)24-14-8-5-9-15-24/h4-15,20H,3,16-19H2,1-2H3/b11-10-