ethyl 6-(4-chlorophenyl)-8-methyl-9-[phenyl(prop-2-enyl)amino]-2,5-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-8-methyl-9-[phenyl(prop-2-enyl)amino]-2,5-dihydro-1-benzoxepine-7-carboxylate Openeye Name: ethyl 9-(N-allylanilino)-6-(4-chlorophenyl)-8-methyl-2,5-dihydro-1-benzoxepine-7-carboxylate CAS Name: 6-(4-chlorophenyl)-8-methyl-9-(N-prop-2-enylanilino)-2,5-dihydro-1-benzoxepin-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-8-methyl-9-(N-prop-2-enylanilino)-2,5-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 9-(N-allylanilino)-6-(4-chlorophenyl)-8-methyl-2,5-dihydro-1-benzoxepin-7-carboxylic acid ethyl ester Formula: C29H28ClNO3 MolecularWeight: 473.99052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C1C)N(CC=C)C3=CC=CC=C3)OCC=CC2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C1C)N(CC=C)C3=CC=CC=C3)OCC=CC2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H28ClNO3/c1-4-18-31(23-11-7-6-8-12-23)27-20(3)25(29(32)33-5-2)26(21-14-16-22(30)17-15-21)24-13-9-10-19-34-28(24)27/h4,6-12,14-17H,1,5,13,18-19H2,2-3H3