methyl 2-[[2-cyanoethyl(2-phenylazanylethyl)carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-cyanoethyl(2-phenylazanylethyl)carbamoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-anilinoethyl(2-cyanoethyl)amino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCNC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCNC1=CC=CC=C1

InChI

InChI=1S/C18H26N4O3/c1-14(2)16(17(23)25-3)21-18(24)22(12-7-10-19)13-11-20-15-8-5-4-6-9-15/h4-6,8-9,14,16,20H,7,11-13H2,1-3H3,(H,21,24)