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

Systemtic Name: [2-azanyl-2-(hydroxymethyl)-3-phenyl-propyl] 3-(2-cyanophenyl)-5-(2-propylpiperidin-1-yl)carbonyl-benzoate Openeye Name: (2-amino-2-benzyl-3-hydroxy-propyl) 3-(2-cyanophenyl)-5-(2-propylpiperidine-1-carbonyl)benzoate CAS Name: 3-(2-cyanophenyl)-5-[oxo-(2-propyl-1-piperidinyl)methyl]benzoic acid [2-amino-2-(hydroxymethyl)-3-phenylpropyl] ester IUPAC Name: (2-amino-2-benzyl-3-hydroxypropyl) 3-(2-cyanophenyl)-5-(2-propylpiperidine-1-carbonyl)benzoate Traditional Name: 3-(2-cyanophenyl)-5-(2-propylpiperidine-1-carbonyl)benzoic acid (2-amino-2-benzyl-3-hydroxy-propyl) ester Formula: C33H37N3O4 MolecularWeight: 539.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)OCC(CC4=CC=CC=C4)(CO)N

Isomeric SMILES

CCCC1CCCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)C(=O)OCC(CC4=CC=CC=C4)(CO)N

InChI

InChI=1S/C33H37N3O4/c1-2-10-29-14-8-9-16-36(29)31(38)27-17-26(30-15-7-6-13-25(30)21-34)18-28(19-27)32(39)40-23-33(35,22-37)20-24-11-4-3-5-12-24/h3-7,11-13,15,17-19,29,37H,2,8-10,14,16,20,22-23,35H2,1H3