[2-azanyl-2-(hydroxymethyl)-3-phenyl-propyl] 3-(2-cyanophenyl)-5-(2-methoxypyrrolidin-1-yl)carbonyl-benzoate

Systemtic Name: [2-azanyl-2-(hydroxymethyl)-3-phenyl-propyl] 3-(2-cyanophenyl)-5-(2-methoxypyrrolidin-1-yl)carbonyl-benzoate Openeye Name: (2-amino-2-benzyl-3-hydroxy-propyl) 3-(2-cyanophenyl)-5-(2-methoxypyrrolidine-1-carbonyl)benzoate CAS Name: 3-(2-cyanophenyl)-5-[(2-methoxy-1-pyrrolidinyl)-oxomethyl]benzoic acid [2-amino-2-(hydroxymethyl)-3-phenylpropyl] ester IUPAC Name: (2-amino-2-benzyl-3-hydroxypropyl) 3-(2-cyanophenyl)-5-(2-methoxypyrrolidine-1-carbonyl)benzoate Traditional Name: 3-(2-cyanophenyl)-5-(2-methoxypyrrolidine-1-carbonyl)benzoic acid (2-amino-2-benzyl-3-hydroxy-propyl) ester Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)OCC(CC4=CC=CC=C4)(CO)N

Isomeric SMILES

COC1CCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)OCC(CC4=CC=CC=C4)(CO)N

InChI

InChI=1S/C30H31N3O5/c1-37-27-12-7-13-33(27)28(35)24-14-23(26-11-6-5-10-22(26)18-31)15-25(16-24)29(36)38-20-30(32,19-34)17-21-8-3-2-4-9-21/h2-6,8-11,14-16,27,34H,7,12-13,17,19-20,32H2,1H3