3-cyano-2-[[methyl(quinolin-2-ylmethyl)carbamoyl]amino]butanoic acid

Systemtic Name: 3-cyano-2-[[methyl(quinolin-2-ylmethyl)carbamoyl]amino]butanoic acid Openeye Name: 3-cyano-2-[[methyl(2-quinolylmethyl)carbamoyl]amino]butanoic acid CAS Name: 3-cyano-2-[[[methyl(2-quinolinylmethyl)amino]-oxomethyl]amino]butanoic acid IUPAC Name: 3-cyano-2-[[methyl(quinolin-2-ylmethyl)carbamoyl]amino]butanoic acid Traditional Name: 3-cyano-2-[[methyl(2-quinolylmethyl)carbamoyl]amino]butyric acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(C(=O)O)NC(=O)N(C)CC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C#N)C(C(=O)O)NC(=O)N(C)CC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H18N4O3/c1-11(9-18)15(16(22)23)20-17(24)21(2)10-13-8-7-12-5-3-4-6-14(12)19-13/h3-8,11,15H,10H2,1-2H3,(H,20,24)(H,22,23)