methyl 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate

Systemtic Name: methyl 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Openeye Name: methyl 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate CAS Name: 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine-7-carboxylate Traditional Name: 4-(3,5-dimethylphenyl)-5,7-dihydrobenzo[d][2]benzoxepin-7-carboxylic acid methyl ester Formula: C24H22O3 MolecularWeight: 358.42968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC=CC3=C2COC(C4=CC=CC=C34)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC=CC3=C2COC(C4=CC=CC=C34)C(=O)OC)C

InChI

InChI=1S/C24H22O3/c1-15-11-16(2)13-17(12-15)18-9-6-10-20-19-7-4-5-8-21(19)23(24(25)26-3)27-14-22(18)20/h4-13,23H,14H2,1-3H3