7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-enoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-enoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-allyloxycarbonyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[oxo(prop-2-enoxy)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-enoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-allyloxycarbonyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)OCC=C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)OCC=C

InChI

InChI=1S/C27H31NO6/c1-3-5-15-32-16-17-33-24-9-6-20(7-10-24)21-8-11-25-23(18-21)19-22(26(29)30)12-13-28(25)27(31)34-14-4-2/h4,6-11,18-19H,2-3,5,12-17H2,1H3,(H,29,30)