methyl 3-[2-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(5-chloro-2-pyrrolidin-1-yl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[5-chloro-2-(1-pyrrolidinyl)anilino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-chloro-2-pyrrolidin-1-ylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(5-chloro-2-pyrrolidino-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)Cl)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)Cl)N3CCCC3

InChI

InChI=1S/C21H24ClN3O3/c1-14-5-6-15(21(27)28-2)11-17(14)24-20(26)13-23-18-12-16(22)7-8-19(18)25-9-3-4-10-25/h5-8,11-12,23H,3-4,9-10,13H2,1-2H3,(H,24,26)