2-[4-[6-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)-4-oxidanylidene-pyran-2-yl]carbonyl-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)-4-oxidanylidene-pyran-2-yl]carbonyl-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-[4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-oxo-pyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-[4-[[6-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]-4-oxo-2-pyranyl]-oxomethyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-oxopyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-[4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-keto-pyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=O)C=C(O3)C(=O)N4CCCN(CC4)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=O)C=C(O3)C(=O)N4CCCN(CC4)CC(=O)O

InChI

InChI=1S/C23H25N3O6/c27-17-13-19(22(30)25-9-4-8-24(11-12-25)15-21(28)29)32-20(14-17)23(31)26-10-3-6-16-5-1-2-7-18(16)26/h1-2,5,7,13-14H,3-4,6,8-12,15H2,(H,28,29)