2-[2-methyl-3-oxidanylidene-8-[3-(pyridin-2-ylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-oxidanylidene-8-[3-(pyridin-2-ylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-oxo-8-[3-(2-pyridylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-methyl-3-oxo-8-[3-(2-pyridinylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-methyl-3-oxo-8-[3-(pyridin-2-ylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-methyl-8-[3-(2-pyridylamino)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)OCCCNC3=CC=CC=N3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)OCCCNC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O4/c1-24-14-17-12-18(28-10-4-9-23-19-5-2-3-8-22-19)7-6-15(17)11-16(21(24)27)13-20(25)26/h2-3,5-8,12,16H,4,9-11,13-14H2,1H3,(H,22,23)(H,25,26)