2-[2-methyl-3-oxidanylidene-8-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-oxidanylidene-8-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-oxo-8-[4-(4-piperidyl)piperidine-1-carbonyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-methyl-3-oxo-8-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-methyl-3-oxo-8-(4-piperidin-4-ylpiperidine-1-carbonyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-methyl-8-[4-(4-piperidyl)piperidine-1-carbonyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4

InChI

InChI=1S/C24H33N3O4/c1-26-15-21-13-19(3-2-18(21)12-20(23(26)30)14-22(28)29)24(31)27-10-6-17(7-11-27)16-4-8-25-9-5-16/h2-3,13,16-17,20,25H,4-12,14-15H2,1H3,(H,28,29)