methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-oxidanylpropyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-oxidanylpropyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxypropyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-hydroxypropyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxypropyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-hydroxypropyl)amino]phenyl]propionic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1=CC=C(C=C1)CCC(=O)OC)C(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(CN(C1=CC=C(C=C1)CCC(=O)OC)C(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H23N3O4/c1-15(25)14-24(21(27)23-18-8-3-17(13-22)4-9-18)19-10-5-16(6-11-19)7-12-20(26)28-2/h3-6,8-11,15,25H,7,12,14H2,1-2H3,(H,23,27)