4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid CAS Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]benzoic acid Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)21-10-14-3-5-16(6-4-14)17(22)23/h3-6,15,21H,7-13H2,1-2H3,(H,22,23)/t15?,18-,19+,20?