2-[(3-heptoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-heptoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-heptoxyphenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[(3-heptoxyanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-heptoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-heptoxyphenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=O)C2CCCCC2C(=O)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-5-8-14-26-17-11-9-10-16(15-17)22-20(23)18-12-6-7-13-19(18)21(24)25/h9-11,15,18-19H,2-8,12-14H2,1H3,(H,22,23)(H,24,25)