[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H23N3O4/c1-5-18(20(25)23-19-10-13(4)28-24-19)27-21(26)15-11-17(12(2)3)22-16-9-7-6-8-14(15)16/h6-12,18H,5H2,1-4H3,(H,23,24,25)