methyl 1-(4-methoxyphenyl)carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate

Systemtic Name: methyl 1-(4-methoxyphenyl)carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate Openeye Name: methyl 1-(4-methoxybenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate CAS Name: 1-[(4-methoxyphenyl)-oxomethyl]-1'-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methoxybenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate Traditional Name: 1-p-anisoylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid methyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC3(CCC(=C3)C(=O)OC)CC4=CC=CC=C42

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC3(CCC(=C3)C(=O)OC)CC4=CC=CC=C42

InChI

InChI=1S/C24H25NO4/c1-28-20-9-7-17(8-10-20)22(26)25-14-13-24(12-11-19(16-24)23(27)29-2)15-18-5-3-4-6-21(18)25/h3-10,16H,11-15H2,1-2H3