methyl 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-isopropyl-pyrrolidin-3-yl]amino]methyl]benzoate CAS Name: 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-propan-2-yl-3-pyrrolidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-propan-2-ylpyrrolidin-3-yl]amino]methyl]benzoate Traditional Name: 4-[[[(3S,5S)-5-(ethylcarbamoyl)-1-isopropyl-pyrrolidin-3-yl]amino]methyl]benzoic acid methyl ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1C(C)C)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@@H](CN1C(C)C)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H29N3O3/c1-5-20-18(23)17-10-16(12-22(17)13(2)3)21-11-14-6-8-15(9-7-14)19(24)25-4/h6-9,13,16-17,21H,5,10-12H2,1-4H3,(H,20,23)/t16-,17-/m0/s1