2-[2-oxidanylidene-3-[3-phenylpropyl(pyridin-3-ylmethoxycarbonyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[3-phenylpropyl(pyridin-3-ylmethoxycarbonyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[3-phenylpropyl(3-pyridylmethoxycarbonyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[[oxo(3-pyridinylmethoxy)methyl]-(3-phenylpropyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-[3-phenylpropyl(pyridin-3-ylmethoxycarbonyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[3-phenylpropyl(3-pyridylmethoxycarbonyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1N(CCCC3=CC=CC=C3)C(=O)OCC4=CN=CC=C4)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1N(CCCC3=CC=CC=C3)C(=O)OCC4=CN=CC=C4)CC(=O)O

InChI

InChI=1S/C28H29N3O5/c32-26(33)19-31-24-13-5-4-12-23(24)14-15-25(27(31)34)30(17-7-11-21-8-2-1-3-9-21)28(35)36-20-22-10-6-16-29-18-22/h1-6,8-10,12-13,16,18,25H,7,11,14-15,17,19-20H2,(H,32,33)