4-(aminomethyl)-N-[2-azanyl-3-(3-phenoxyphenyl)propanoyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[2-azanyl-3-(3-phenoxyphenyl)propanoyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[2-amino-3-(3-phenoxyphenyl)propanoyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[2-amino-1-oxo-3-(3-phenoxyphenyl)propyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[2-amino-3-(3-phenoxyphenyl)propanoyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[2-amino-3-(3-phenoxyphenyl)propanoyl]cyclohexanecarboxamide Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(=O)C(CC2=CC(=CC=C2)OC3=CC=CC=C3)N

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(=O)C(CC2=CC(=CC=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N3O3/c24-15-16-9-11-18(12-10-16)22(27)26-23(28)21(25)14-17-5-4-8-20(13-17)29-19-6-2-1-3-7-19/h1-8,13,16,18,21H,9-12,14-15,24-25H2,(H,26,27,28)