2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-ylcarbonyl)benzoic acid

Systemtic Name: 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-ylcarbonyl)benzoic acid Openeye Name: 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[oxo(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-yl)methyl]benzoic acid IUPAC Name: 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoic acid Traditional Name: 2-methoxy-4-(2,3,4,5-tetrahydropyrid[3,4-b]azepine-1-carbonyl)benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=NC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=NC=C3)C(=O)O

InChI

InChI=1S/C18H18N2O4/c1-24-16-10-13(5-6-14(16)18(22)23)17(21)20-9-3-2-4-12-7-8-19-11-15(12)20/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)