3-azanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 3-azanyl-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzoic acid Openeye Name: 3-amino-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzoic acid CAS Name: 3-amino-2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 3-amino-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzoic acid Traditional Name: 3-amino-2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]benzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC=C2N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC=C2N)C(=O)O)OC

InChI

InChI=1S/C18H17NO5/c1-23-15-9-7-11(10-16(15)24-2)6-8-14(20)17-12(18(21)22)4-3-5-13(17)19/h3-10H,19H2,1-2H3,(H,21,22)/b8-6+