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

Systemtic Name: 2-methoxyethyl 2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: 2-methoxyethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate CAS Name: 2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(3-phenoxyphenyl)propionic acid 2-methoxyethyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5/c1-31-14-15-32-26(30)24(28-25(29)21-12-10-19(18-27)11-13-21)17-20-6-5-9-23(16-20)33-22-7-3-2-4-8-22/h2-9,16,19,21,24H,10-15,17-18,27H2,1H3,(H,28,29)