1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]isonipecotic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C24H31NO3/c1-16-2-4-20(5-3-16)23-11-17-10-18(12-23)14-24(13-17,15-23)22(28)25-8-6-19(7-9-25)21(26)27/h2-5,17-19H,6-15H2,1H3,(H,26,27)/t17-,18+,23?,24?