methyl 4-azanyl-3-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-azanyl-3-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-amino-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-amino-3-[[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-amino-3-[[(2S)-1-benzylprolyl]amino]benzoic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)NC(=O)C2CCCN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)NC(=O)[C@@H]2CCCN2CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-26-20(25)15-9-10-16(21)17(12-15)22-19(24)18-8-5-11-23(18)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13,21H2,1H3,(H,22,24)/t18-/m0/s1