2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylmethoxy-propanoic acid hydrochloride

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylmethoxy-propanoic acid hydrochloride Openeye Name: 3-benzyloxy-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]propanoic acid hydrochloride CAS Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylmethoxypropanoic acid hydrochloride IUPAC Name: 2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylmethoxypropanoic acid hydrochloride Traditional Name: 3-benzoxy-2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]propionic acid hydrochloride Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(COCC3=CC=CC=C3)C(=O)O)CC(=O)O.Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(COCC3=CC=CC=C3)C(=O)O)CC(=O)O.Cl

InChI

InChI=1S/C22H24N2O6.ClH/c25-20(26)12-24-19-9-5-4-8-16(19)10-11-17(21(24)27)23-18(22(28)29)14-30-13-15-6-2-1-3-7-15;/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29);1H