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

Systemtic Name: methyl 1-(4-butoxyphenyl)carbonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate Openeye Name: methyl 1-(4-butoxybenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate CAS Name: 1-[(4-butoxyphenyl)-oxomethyl]-1'-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]carboxylic acid methyl ester IUPAC Name: methyl 1-(4-butoxybenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate Traditional Name: 1-(4-butoxybenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCC3(CCC(=C3)C(=O)OC)CC4=CC=CC=C42

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCC3(CCC(=C3)C(=O)OC)CC4=CC=CC=C42

InChI

InChI=1S/C27H31NO4/c1-3-4-17-32-23-11-9-20(10-12-23)25(29)28-16-15-27(14-13-22(19-27)26(30)31-2)18-21-7-5-6-8-24(21)28/h5-12,19H,3-4,13-18H2,1-2H3