2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate; pyrrolidin-1-ium

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate; pyrrolidin-1-ium Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate; pyrrolidin-1-ium CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate; pyrrolidin-1-ium IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate; pyrrolidin-1-ium Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoate; pyrrolidin-1-ium Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)[O-])OC.C1CC[NH2+]C1

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)[O-])OC.C1CC[NH2+]C1

InChI

InChI=1S/C18H17NO5.C4H9N/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;1-2-4-5-3-1/h3-11H,1-2H3,(H,19,20)(H,21,22);5H,1-4H2/b10-8+;