2-[cyanomethyl-[4-methoxy-2-(phenylcarbonyl)phenyl]carbonyl-amino]ethylcarbamic acid

Systemtic Name: 2-[cyanomethyl-[4-methoxy-2-(phenylcarbonyl)phenyl]carbonyl-amino]ethylcarbamic acid Openeye Name: 2-[(2-benzoyl-4-methoxy-benzoyl)-(cyanomethyl)amino]ethylcarbamic acid CAS Name: 2-[[(2-benzoyl-4-methoxyphenyl)-oxomethyl]-(cyanomethyl)amino]ethylcarbamic acid IUPAC Name: 2-[(2-benzoyl-4-methoxybenzoyl)-(cyanomethyl)amino]ethylcarbamic acid Traditional Name: 2-[(2-benzoyl-4-methoxy-benzoyl)-(cyanomethyl)amino]ethylcarbamic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N(CCNC(=O)O)CC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N(CCNC(=O)O)CC#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O5/c1-28-15-7-8-16(17(13-15)18(24)14-5-3-2-4-6-14)19(25)23(11-9-21)12-10-22-20(26)27/h2-8,13,22H,10-12H2,1H3,(H,26,27)