5-azanyl-7-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2,8-dimethyl-4-oxidanyl-nonanoic acid; butanamide; hydrochloride

Systemtic Name: 5-azanyl-7-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2,8-dimethyl-4-oxidanyl-nonanoic acid; butanamide; hydrochloride Openeye Name: 5-amino-7-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-hydroxy-2,8-dimethyl-nonanoic acid; butanamide; hydrochloride CAS Name: 5-amino-4-hydroxy-7-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,8-dimethylnonanoic acid; butanamide; hydrochloride IUPAC Name: 5-amino-4-hydroxy-7-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,8-dimethylnonanoic acid; butanamide; hydrochloride Traditional Name: 5-amino-7-(3-benzoxy-4-methoxy-benzyl)-4-hydroxy-2,8-dimethyl-pelargonic acid; butyramide; hydrochloride Formula: C30H47ClN2O6 MolecularWeight: 567.15698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N.CC(C)C(CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)CC(C(CC(C)C(=O)O)O)N.Cl

Isomeric SMILES

CCCC(=O)N.CC(C)C(CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2)CC(C(CC(C)C(=O)O)O)N.Cl

InChI

InChI=1S/C26H37NO5.C4H9NO.ClH/c1-17(2)21(15-22(27)23(28)12-18(3)26(29)30)13-20-10-11-24(31-4)25(14-20)32-16-19-8-6-5-7-9-19;1-2-3-4(5)6;/h5-11,14,17-18,21-23,28H,12-13,15-16,27H2,1-4H3,(H,29,30);2-3H2,1H3,(H2,5,6);1H