2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-(phenylmethyl)-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-(phenylmethyl)-1,2-diazinane-3-carboxylic acid Openeye Name: 1-benzyl-2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1-(phenylmethyl)-3-diazinanecarboxylic acid IUPAC Name: 1-benzyl-2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]diazinane-3-carboxylic acid Traditional Name: 1-benzyl-2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]hexahydropyridazine-3-carboxylic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H35N3O5/c1-3-35-27(34)23(17-16-21-11-6-4-7-12-21)28-20(2)25(31)30-24(26(32)33)15-10-18-29(30)19-22-13-8-5-9-14-22/h4-9,11-14,20,23-24,28H,3,10,15-19H2,1-2H3,(H,32,33)