ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

Systemtic Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid Openeye Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid CAS Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid IUPAC Name: ethane-1,2-diamine; (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid Traditional Name: 2-aminoethylamine; (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid Formula: C26H36N2O10 MolecularWeight: 536.57144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)O.COC1=CC(=CC(=C1OC)OC)C=CC(=O)O.C(CN)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O.COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O.C(N)CN

InChI

InChI=1S/2C12H14O5.C2H8N2/c2*1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3;3-1-2-4/h2*4-7H,1-3H3,(H,13,14);1-4H2/b2*5-4+;