4-[2-(1-adamantyl)ethanoyl]benzoic acid; [(2S)-pyrrolidin-2-yl]methanol

Systemtic Name: 4-[2-(1-adamantyl)ethanoyl]benzoic acid; [(2S)-pyrrolidin-2-yl]methanol Openeye Name: 4-[2-(1-adamantyl)acetyl]benzoic acid; [(2S)-pyrrolidin-2-yl]methanol CAS Name: 4-[2-(1-adamantyl)-1-oxoethyl]benzoic acid; [(2S)-2-pyrrolidinyl]methanol IUPAC Name: 4-[2-(1-adamantyl)acetyl]benzoic acid; [(2S)-pyrrolidin-2-yl]methanol Traditional Name: 4-[2-(1-adamantyl)acetyl]benzoic acid; [(2S)-pyrrolidin-2-yl]methanol Formula: C24H33NO4 MolecularWeight: 399.52312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CO.C1C2CC3CC1CC(C2)(C3)CC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C[C@H](NC1)CO.C1C2CC3CC1CC(C2)(C3)CC(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H22O3.C5H11NO/c20-17(15-1-3-16(4-2-15)18(21)22)11-19-8-12-5-13(9-19)7-14(6-12)10-19;7-4-5-2-1-3-6-5/h1-4,12-14H,5-11H2,(H,21,22);5-7H,1-4H2/t;5-/m.0/s1