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

Systemtic Name: 2-[3-oxidanylidene-2-phenethyl-7-(3-piperidin-4-ylpropoxy)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-phenethyl-7-[3-(4-piperidyl)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-2-phenethyl-7-[3-(4-piperidinyl)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-phenethyl-7-(3-piperidin-4-ylpropoxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-phenethyl-7-[3-(4-piperidyl)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCOC2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCCOC2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H36N2O4/c31-27(32)19-25-17-24-18-26(34-16-4-7-22-10-13-29-14-11-22)9-8-23(24)20-30(28(25)33)15-12-21-5-2-1-3-6-21/h1-3,5-6,8-9,18,22,25,29H,4,7,10-17,19-20H2,(H,31,32)