azane; pyridin-3-ylmethyl 5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoate

Systemtic Name: azane; pyridin-3-ylmethyl 5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoate Openeye Name: ammonia; 3-pyridylmethyl 5-amino-2-benzyl-4-hydroxy-6-phenyl-hexanoate CAS Name: 5-amino-4-hydroxy-6-phenyl-2-(phenylmethyl)hexanoic acid 3-pyridinylmethyl ester; ammonia IUPAC Name: azane; pyridin-3-ylmethyl 5-amino-2-benzyl-4-hydroxy-6-phenylhexanoate Traditional Name: 5-amino-2-benzyl-4-hydroxy-6-phenyl-hexanoic acid 3-pyridylmethyl ester; ammonia Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(C(CC2=CC=CC=C2)N)O)C(=O)OCC3=CN=CC=C3.N

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(C(CC2=CC=CC=C2)N)O)C(=O)OCC3=CN=CC=C3.N

InChI

InChI=1S/C25H28N2O3.H3N/c26-23(15-20-10-5-2-6-11-20)24(28)16-22(14-19-8-3-1-4-9-19)25(29)30-18-21-12-7-13-27-17-21;/h1-13,17,22-24,28H,14-16,18,26H2;1H3