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

Systemtic Name: pyridin-4-yl 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: 4-pyridyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid pyridin-4-yl ester IUPAC Name: pyridin-4-yl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propionic acid 4-pyridyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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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)OC4=CC=NC=C4

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=NC=C4

InChI

InChI=1S/C28H31N3O4/c29-19-20-9-11-22(12-10-20)27(32)31-26(28(33)35-24-13-15-30-16-14-24)18-21-5-4-8-25(17-21)34-23-6-2-1-3-7-23/h1-8,13-17,20,22,26H,9-12,18-19,29H2,(H,31,32)