(1R,2S)-2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(2-butoxy-1-naphthyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(2-butoxy-1-naphthalenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-butoxy-1-naphthyl)methylcarbamoyl]cyclohexanecarboxylic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C23H29NO4/c1-2-3-14-28-21-13-12-16-8-4-5-9-17(16)20(21)15-24-22(25)18-10-6-7-11-19(18)23(26)27/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,24,25)(H,26,27)/t18-,19+/m0/s1