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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N(CCCO)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N(CCCO)C(=O)NC2=CC=C(C=C2)C#N

InChI

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