N-[5-(aminomethyl)-2-tert-butyl-phenyl]-3-(2,4-dimethoxyphenyl)octanamide hydrochloride

Systemtic Name: N-[5-(aminomethyl)-2-tert-butyl-phenyl]-3-(2,4-dimethoxyphenyl)octanamide hydrochloride Openeye Name: N-[5-(aminomethyl)-2-tert-butyl-phenyl]-3-(2,4-dimethoxyphenyl)octanamide hydrochloride CAS Name: N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide hydrochloride IUPAC Name: N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide hydrochloride Traditional Name: N-[5-(aminomethyl)-2-tert-butyl-phenyl]-3-(2,4-dimethoxyphenyl)caprylamide hydrochloride Formula: C27H41ClN2O3 MolecularWeight: 477.07904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CN)C(C)(C)C)C2=C(C=C(C=C2)OC)OC.Cl

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CN)C(C)(C)C)C2=C(C=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C27H40N2O3.ClH/c1-7-8-9-10-20(22-13-12-21(31-5)17-25(22)32-6)16-26(30)29-24-15-19(18-28)11-14-23(24)27(2,3)4;/h11-15,17,20H,7-10,16,18,28H2,1-6H3,(H,29,30);1H