2-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[3-(2-furyl)-1-methyl-propyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(2-furanyl)butan-2-ylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[3-(2-furyl)-1-methyl-propyl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CO1)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C15H19N3O4/c1-11(4-5-12-3-2-10-22-12)17-14(19)7-9-18-13(15(20)21)6-8-16-18/h2-3,6,8,10-11H,4-5,7,9H2,1H3,(H,17,19)(H,20,21)