(3S,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-veratryl-amine Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C21H31NO2/c1-19-8-16-9-20(2,12-19)14-21(10-16,13-19)22-11-15-5-6-17(23-3)18(7-15)24-4/h5-7,16,22H,8-14H2,1-4H3/t16?,19-,20+,21?