pyridin-3-ylmethyl 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoate

Systemtic Name: pyridin-3-ylmethyl 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: 3-pyridylmethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propionic acid 3-pyridylmethyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C29H33N3O4/c30-18-21-11-13-24(14-12-21)28(33)32-27(29(34)35-20-23-7-5-15-31-19-23)17-22-6-4-10-26(16-22)36-25-8-2-1-3-9-25/h1-10,15-16,19,21,24,27H,11-14,17-18,20,30H2,(H,32,33)