1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(E)-1-oxobut-2-enyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H31NO5 MolecularWeight: 449.53874

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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)C=CC

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-3-5-15-32-16-17-33-24-10-7-20(8-11-24)21-9-12-25-23(18-21)19-22(27(30)31)13-14-28(25)26(29)6-4-2/h4,6-12,18-19H,3,5,13-17H2,1-2H3,(H,30,31)/b6-4+