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

Systemtic Name: methyl 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-ylcarbonyl)benzoate Openeye Name: methyl 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoate CAS Name: 2-methoxy-4-[oxo(2,3,4,5-tetrahydropyrido[3,4-b]azepin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-(2,3,4,5-tetrahydropyrido[3,4-b]azepine-1-carbonyl)benzoate Traditional Name: 2-methoxy-4-(2,3,4,5-tetrahydropyrid[3,4-b]azepine-1-carbonyl)benzoic acid methyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-24-17-11-14(6-7-15(17)19(23)25-2)18(22)21-10-4-3-5-13-8-9-20-12-16(13)21/h6-9,11-12H,3-5,10H2,1-2H3