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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)OC)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)OC)N(CCO)C(=O)NC2=CC=C(C=C2)C#N

InChI

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