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

Systemtic Name: 2-[2-(2-cyclohexylethyl)-3-oxidanylidene-7-(3-piperidin-4-ylpropanoylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-(2-cyclohexylethyl)-3-oxo-7-[3-(4-piperidyl)propanoylamino]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-(2-cyclohexylethyl)-3-oxo-7-[[1-oxo-3-(4-piperidinyl)propyl]amino]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-(2-cyclohexylethyl)-3-oxo-7-(3-piperidin-4-ylpropanoylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[2-(2-cyclohexylethyl)-3-keto-7-[3-(4-piperidyl)propanoylamino]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H41N3O4 MolecularWeight: 483.64284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CC3=C(CC(C2=O)CC(=O)O)C=C(C=C3)NC(=O)CCC4CCNCC4

Isomeric SMILES

C1CCC(CC1)CCN2CC3=C(CC(C2=O)CC(=O)O)C=C(C=C3)NC(=O)CCC4CCNCC4

InChI

InChI=1S/C28H41N3O4/c32-26(9-6-21-10-13-29-14-11-21)30-25-8-7-22-19-31(15-12-20-4-2-1-3-5-20)28(35)24(18-27(33)34)16-23(22)17-25/h7-8,17,20-21,24,29H,1-6,9-16,18-19H2,(H,30,32)(H,33,34)