[2-azanyl-2-(hydroxymethyl)-3-phenyl-propyl] 3-(2-cyanophenyl)-5-(dipropylcarbamoyl)benzoate

Systemtic Name: [2-azanyl-2-(hydroxymethyl)-3-phenyl-propyl] 3-(2-cyanophenyl)-5-(dipropylcarbamoyl)benzoate Openeye Name: (2-amino-2-benzyl-3-hydroxy-propyl) 3-(2-cyanophenyl)-5-(dipropylcarbamoyl)benzoate CAS Name: 3-(2-cyanophenyl)-5-[(dipropylamino)-oxomethyl]benzoic acid [2-amino-2-(hydroxymethyl)-3-phenylpropyl] ester IUPAC Name: (2-amino-2-benzyl-3-hydroxypropyl) 3-(2-cyanophenyl)-5-(dipropylcarbamoyl)benzoate Traditional Name: 3-(2-cyanophenyl)-5-(dipropylcarbamoyl)benzoic acid (2-amino-2-benzyl-3-hydroxy-propyl) ester Formula: C31H35N3O4 MolecularWeight: 513.6273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)C(=O)OCC(CC3=CC=CC=C3)(CO)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)C(=O)OCC(CC3=CC=CC=C3)(CO)N

InChI

InChI=1S/C31H35N3O4/c1-3-14-34(15-4-2)29(36)26-16-25(28-13-9-8-12-24(28)20-32)17-27(18-26)30(37)38-22-31(33,21-35)19-23-10-6-5-7-11-23/h5-13,16-18,35H,3-4,14-15,19,21-22,33H2,1-2H3