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

Systemtic Name: 2-[3-oxidanylidene-2-phenethyl-7-(3-pyridin-4-ylpropoxy)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-phenethyl-7-[3-(4-pyridyl)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-2-phenethyl-7-(3-pyridin-4-ylpropoxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-phenethyl-7-(3-pyridin-4-ylpropoxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-phenethyl-7-[3-(4-pyridyl)propoxy]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)OCCCC3=CC=NC=C3)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)OCCCC3=CC=NC=C3)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H30N2O4/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/h1-3,5-6,8-11,13-14,18,25H,4,7,12,15-17,19-20H2,(H,31,32)