2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoic acid Openeye Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoic acid CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid IUPAC Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoic acid Traditional Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propionic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c24-15-16-9-11-18(12-10-16)22(26)25-21(23(27)28)14-17-5-4-8-20(13-17)29-19-6-2-1-3-7-19/h1-8,13,16,18,21H,9-12,14-15,24H2,(H,25,26)(H,27,28)