4-oxidanyl-3-pentan-3-yloxy-5-[(phenylmethyl)amino]cyclohexene-1-carboxylic acid

Systemtic Name: 4-oxidanyl-3-pentan-3-yloxy-5-[(phenylmethyl)amino]cyclohexene-1-carboxylic acid Openeye Name: 5-(benzylamino)-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylic acid CAS Name: 4-hydroxy-3-pentan-3-yloxy-5-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-(benzylamino)-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 5-(benzylamino)-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1O)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1O)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H27NO4/c1-3-15(4-2)24-17-11-14(19(22)23)10-16(18(17)21)20-12-13-8-6-5-7-9-13/h5-9,11,15-18,20-21H,3-4,10,12H2,1-2H3,(H,22,23)