methyl 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]pyrrolidine-1-carboxylate

Systemtic Name: methyl 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]pyrrolidine-1-carboxylate Openeye Name: methyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxylate CAS Name: 3-[4-cyano-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]anilino]-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxylate Traditional Name: 3-[4-cyano-2-(veratrylcarbamoyl)anilino]pyrrolidine-1-carboxylic acid methyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)C(=O)OC)OC

InChI

InChI=1S/C23H26N4O5/c1-30-20-7-5-16(11-21(20)31-2)13-25-22(28)18-10-15(12-24)4-6-19(18)26-17-8-9-27(14-17)23(29)32-3/h4-7,10-11,17,26H,8-9,13-14H2,1-3H3,(H,25,28)