methyl 1-(4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylphenyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-(4-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylcarbonylphenyl)pyrrole-3-carboxylate Openeye Name: methyl 1-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]pyrrole-3-carboxylate CAS Name: 1-[4-[oxo(1-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]yl)methyl]phenyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]pyrrole-3-carboxylate Traditional Name: 1-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]pyrrole-3-carboxylic acid methyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C1)C2=CC=C(C=C2)C(=O)N3CCC4(CCCC=C4)CC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CN(C=C1)C2=CC=C(C=C2)C(=O)N3CCC4(CCCC=C4)CC5=CC=CC=C53

InChI

InChI=1S/C28H28N2O3/c1-33-27(32)23-13-17-29(20-23)24-11-9-21(10-12-24)26(31)30-18-16-28(14-5-2-6-15-28)19-22-7-3-4-8-25(22)30/h3-5,7-14,17,20H,2,6,15-16,18-19H2,1H3