2-[[2,7,8-trimethyl-6-oxidanyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]ethanoic acid

Systemtic Name: 2-[[2,7,8-trimethyl-6-oxidanyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]ethanoic acid Openeye Name: 2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methylamino]acetic acid CAS Name: 2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-5-yl]methylamino]acetic acid IUPAC Name: 2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]acetic acid Traditional Name: 2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methylamino]acetic acid Formula: C31H53NO4 MolecularWeight: 503.75682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)CNCC(=O)O)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)CNCC(=O)O)O

InChI

InChI=1S/C31H53NO4/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-31(7)18-16-26-27(19-32-20-28(33)34)29(35)24(5)25(6)30(26)36-31/h21-23,32,35H,8-20H2,1-7H3,(H,33,34)