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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-propargyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4/c1-3-5-15-30-16-17-31-24-9-6-20(7-10-24)21-8-11-25-23(18-21)19-22(26(28)29)12-14-27(25)13-4-2/h2,6-11,18-19H,3,5,12-17H2,1H3,(H,28,29)