methyl 4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylbenzoate

Systemtic Name: methyl 4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylbenzoate Openeye Name: methyl 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoate CAS Name: 4-[oxo(1-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoate Traditional Name: 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoic acid methyl ester Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CCCC=C3)CC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CCCC=C3)CC4=CC=CC=C42

InChI

InChI=1S/C24H25NO3/c1-28-23(27)19-11-9-18(10-12-19)22(26)25-16-15-24(13-5-2-6-14-24)17-20-7-3-4-8-21(20)25/h3-5,7-13H,2,6,14-17H2,1H3