methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-[(4-ethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(4-ethoxyphenyl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(4-ethoxybenzyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC(CC2C(=O)OC)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H32N2O4/c1-3-28-19-11-9-16(10-12-19)14-24-15-18(13-20(24)22(26)27-2)23-21(25)17-7-5-4-6-8-17/h9-12,17-18,20H,3-8,13-15H2,1-2H3,(H,23,25)/t18-,20-/m0/s1