3-[3-methoxy-2-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-propyl]pyrazole-1-carboxylic acid

Systemtic Name: 3-[3-methoxy-2-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-propyl]pyrazole-1-carboxylic acid Openeye Name: 3-[2-[benzyloxycarbonyl(isopentyl)amino]-3-methoxy-3-oxo-propyl]pyrazole-1-carboxylic acid CAS Name: 3-[3-methoxy-2-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-oxopropyl]-1-pyrazolecarboxylic acid IUPAC Name: 3-[3-methoxy-2-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-oxopropyl]pyrazole-1-carboxylic acid Traditional Name: 3-[2-[carbobenzoxy(isoamyl)amino]-3-keto-3-methoxy-propyl]pyrazole-1-carboxylic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CC1=NN(C=C1)C(=O)O)C(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(C(CC1=NN(C=C1)C(=O)O)C(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O6/c1-15(2)9-11-23(21(28)30-14-16-7-5-4-6-8-16)18(19(25)29-3)13-17-10-12-24(22-17)20(26)27/h4-8,10,12,15,18H,9,11,13-14H2,1-3H3,(H,26,27)