2-[2-methyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-methyl-7-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-methyl-7-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-methyl-7-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)N(C)CCC3CCNCC3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)N(C)CCC3CCNCC3

InChI

InChI=1S/C22H31N3O4/c1-24(10-7-15-5-8-23-9-6-15)21(28)16-3-4-17-14-25(2)22(29)19(13-20(26)27)12-18(17)11-16/h3-4,11,15,19,23H,5-10,12-14H2,1-2H3,(H,26,27)