4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylbenzoic acid

Systemtic Name: 4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylbenzoic acid Openeye Name: 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoic acid CAS Name: 4-[oxo(1-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]yl)methyl]benzoic acid IUPAC Name: 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoic acid Traditional Name: 4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)benzoic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC2(C1)CCN(C3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC=CC2(C1)CCN(C3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H23NO3/c25-21(17-8-10-18(11-9-17)22(26)27)24-15-14-23(12-4-1-5-13-23)16-19-6-2-3-7-20(19)24/h2-4,6-12H,1,5,13-16H2,(H,26,27)