(1R,3S)-2,2,3-trimethyl-3-[(3-methylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: (1R,3S)-2,2,3-trimethyl-3-[(3-methylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid Openeye Name: (1R,3S)-2,2,3-trimethyl-3-(m-tolylmethylcarbamoyl)cyclopentanecarboxylic acid CAS Name: (1R,3S)-2,2,3-trimethyl-3-[[(3-methylphenyl)methylamino]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,3S)-2,2,3-trimethyl-3-[(3-methylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid Traditional Name: (1R,3S)-2,2,3-trimethyl-3-[(3-methylbenzyl)carbamoyl]cyclopentanecarboxylic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2(CCC(C2(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)[C@]2(CC[C@H](C2(C)C)C(=O)O)C

InChI

InChI=1S/C18H25NO3/c1-12-6-5-7-13(10-12)11-19-16(22)18(4)9-8-14(15(20)21)17(18,2)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,22)(H,20,21)/t14-,18+/m0/s1