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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-prop-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[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)C2CC(=CC3=CC=CC=C3N2CC#C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC#C)C(=O)O

InChI

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