N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(3,5-dimethyl-1-adamantyl)amine Formula: C25H32ClNO2S MolecularWeight: 446.04508

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Cl)OCC5=CC=CS5)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Cl)OCC5=CC=CS5)OC)C

InChI

InChI=1S/C25H32ClNO2S/c1-23-9-18-10-24(2,14-23)16-25(11-18,15-23)27-12-17-7-20(26)22(21(8-17)28-3)29-13-19-5-4-6-30-19/h4-8,18,27H,9-16H2,1-3H3