methyl 2-[[4-[[acetamido-(4-cyanophenyl)carbamoyl]amino]phenyl]methyl]pentanoate

Systemtic Name: methyl 2-[[4-[[acetamido-(4-cyanophenyl)carbamoyl]amino]phenyl]methyl]pentanoate Openeye Name: methyl 2-[[4-[[acetamido-(4-cyanophenyl)carbamoyl]amino]phenyl]methyl]pentanoate CAS Name: 2-[[4-[[(N-acetamido-4-cyanoanilino)-oxomethyl]amino]phenyl]methyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[acetamido-(4-cyanophenyl)carbamoyl]amino]phenyl]methyl]pentanoate Traditional Name: 2-[4-[[acetamido-(4-cyanophenyl)carbamoyl]amino]benzyl]valeric acid methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)NC(=O)N(C2=CC=C(C=C2)C#N)NC(=O)C)C(=O)OC

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)NC(=O)N(C2=CC=C(C=C2)C#N)NC(=O)C)C(=O)OC

InChI

InChI=1S/C23H26N4O4/c1-4-5-19(22(29)31-3)14-17-6-10-20(11-7-17)25-23(30)27(26-16(2)28)21-12-8-18(15-24)9-13-21/h6-13,19H,4-5,14H2,1-3H3,(H,25,30)(H,26,28)