ethanedioic acid; 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(phenylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine; oxalic acid CAS Name: 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine; oxalic acid Traditional Name: benzyl-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]amine; oxalic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCNCC2=CC=CC=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCNCC2=CC=CC=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO2.C2H2O4/c1-3-7-16-10-11-18(19(14-16)21-2)22-13-12-20-15-17-8-5-4-6-9-17;3-1(4)2(5)6/h3-11,14,20H,12-13,15H2,1-2H3;(H,3,4)(H,5,6)/b7-3+;