ethanedioic acid; 3-(3-methyl-4-propan-2-yl-phenoxy)-N-prop-2-enyl-propan-1-amine

Systemtic Name: ethanedioic acid; 3-(3-methyl-4-propan-2-yl-phenoxy)-N-prop-2-enyl-propan-1-amine Openeye Name: N-allyl-3-(4-isopropyl-3-methyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(3-methyl-4-propan-2-ylphenoxy)-N-prop-2-enyl-1-propanamine; oxalic acid IUPAC Name: 3-(3-methyl-4-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine; oxalic acid Traditional Name: allyl-[3-(4-isopropyl-3-methyl-phenoxy)propyl]amine; oxalic acid Formula: C18H27NO5 MolecularWeight: 337.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNCC=C)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNCC=C)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO.C2H2O4/c1-5-9-17-10-6-11-18-15-7-8-16(13(2)3)14(4)12-15;3-1(4)2(5)6/h5,7-8,12-13,17H,1,6,9-11H2,2-4H3;(H,3,4)(H,5,6)