2-azanylcyclohexane-1-carboxamide; phenylmethoxycarbonyl 2-azanyl-3-(4-methoxyphenyl)propanoate; hydrochloride

Systemtic Name: 2-azanylcyclohexane-1-carboxamide; phenylmethoxycarbonyl 2-azanyl-3-(4-methoxyphenyl)propanoate; hydrochloride Openeye Name: 2-aminocyclohexanecarboxamide; benzyloxycarbonyl 2-amino-3-(4-methoxyphenyl)propanoate; hydrochloride CAS Name: 2-amino-1-cyclohexanecarboxamide; 2-amino-3-(4-methoxyphenyl)propanoic acid phenylmethoxycarbonyl ester; hydrochloride IUPAC Name: 2-aminocyclohexane-1-carboxamide; phenylmethoxycarbonyl 2-amino-3-(4-methoxyphenyl)propanoate; hydrochloride Traditional Name: 2-aminocyclohexanecarboxamide; 2-amino-3-(4-methoxyphenyl)propionic acid carbobenzoxy ester; hydrochloride Formula: C25H34ClN3O6 MolecularWeight: 508.00696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC(=O)OCC2=CC=CC=C2)N.C1CCC(C(C1)C(=O)N)N.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC(=O)OCC2=CC=CC=C2)N.C1CCC(C(C1)C(=O)N)N.Cl

InChI

InChI=1S/C18H19NO5.C7H14N2O.ClH/c1-22-15-9-7-13(8-10-15)11-16(19)17(20)24-18(21)23-12-14-5-3-2-4-6-14;8-6-4-2-1-3-5(6)7(9)10;/h2-10,16H,11-12,19H2,1H3;5-6H,1-4,8H2,(H2,9,10);1H