N-[1-(1,3-dioxan-2-yl)ethyl]butan-1-amine; 4-methyl-2-(2-methylphenyl)benzoic acid

Systemtic Name: N-[1-(1,3-dioxan-2-yl)ethyl]butan-1-amine; 4-methyl-2-(2-methylphenyl)benzoic acid Openeye Name: N-[1-(1,3-dioxan-2-yl)ethyl]butan-1-amine; 4-methyl-2-(o-tolyl)benzoic acid CAS Name: N-[1-(1,3-dioxan-2-yl)ethyl]-1-butanamine; 4-methyl-2-(2-methylphenyl)benzoic acid IUPAC Name: N-[1-(1,3-dioxan-2-yl)ethyl]butan-1-amine; 4-methyl-2-(2-methylphenyl)benzoic acid Traditional Name: butyl-[1-(1,3-dioxan-2-yl)ethyl]amine; 4-methyl-2-(o-tolyl)benzoic acid Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C)C1OCCCO1.CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC(C)C1OCCCO1.CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C15H14O2.C10H21NO2/c1-10-7-8-13(15(16)17)14(9-10)12-6-4-3-5-11(12)2;1-3-4-6-11-9(2)10-12-7-5-8-13-10/h3-9H,1-2H3,(H,16,17);9-11H,3-8H2,1-2H3