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

Systemtic Name: ethyl 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: ethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propionic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C3CCC(CC3)CN

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C3CCC(CC3)CN

InChI

InChI=1S/C25H32N2O4/c1-2-30-25(29)23(27-24(28)20-13-11-18(17-26)12-14-20)16-19-7-6-10-22(15-19)31-21-8-4-3-5-9-21/h3-10,15,18,20,23H,2,11-14,16-17,26H2,1H3,(H,27,28)