[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyrrolidine-2-carboxylate

Systemtic Name: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyrrolidine-2-carboxylate Openeye Name: [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester Formula: C31H51NO3 MolecularWeight: 485.74154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C3CCCN3)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C3CCCN3)C

InChI

InChI=1S/C31H51NO3/c1-23(2)10-6-11-24(3)12-7-13-25(4)14-8-19-31(5)20-18-26-22-27(16-17-29(26)35-31)34-30(33)28-15-9-21-32-28/h16-17,22-25,28,32H,6-15,18-21H2,1-5H3