7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(4-pyridyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-pyridin-4-yl-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(4-pyridyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

C1COC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C16H13NO3/c18-16(19)13-5-8-20-15-2-1-12(9-14(15)10-13)11-3-6-17-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,18,19)