[2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate

Systemtic Name: [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate Openeye Name: [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester Formula: C34H51NO3 MolecularWeight: 521.77364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C34H51NO3/c1-24(2)12-8-13-25(3)14-9-15-26(4)16-10-19-34(7)20-18-29-22-31(27(5)28(6)32(29)38-34)37-33(36)30-17-11-21-35-23-30/h11,17,21-26H,8-10,12-16,18-20H2,1-7H3