N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]-3-methoxy-propan-1-amine; ethanedioic acid

Systemtic Name: N-[3-(4-chloranyl-2-prop-2-enyl-phenoxy)propyl]-3-methoxy-propan-1-amine; ethanedioic acid Openeye Name: N-[3-(2-allyl-4-chloro-phenoxy)propyl]-3-methoxy-propan-1-amine; oxalic acid CAS Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-3-methoxy-1-propanamine; oxalic acid IUPAC Name: N-[3-(4-chloro-2-prop-2-enylphenoxy)propyl]-3-methoxypropan-1-amine; oxalic acid Traditional Name: 3-(2-allyl-4-chloro-phenoxy)propyl-(3-methoxypropyl)amine; oxalic acid Formula: C18H26ClNO6 MolecularWeight: 387.85514

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

COCCCNCCCOC1=C(C=C(C=C1)Cl)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24ClNO2.C2H2O4/c1-3-6-14-13-15(17)7-8-16(14)20-12-5-10-18-9-4-11-19-2;3-1(4)2(5)6/h3,7-8,13,18H,1,4-6,9-12H2,2H3;(H,3,4)(H,5,6)