3-[bis(prop-2-enyl)amino]-4-(2-methoxyphenyl)carbonyl-benzoic acid

Systemtic Name: 3-[bis(prop-2-enyl)amino]-4-(2-methoxyphenyl)carbonyl-benzoic acid Openeye Name: 3-(diallylamino)-4-(2-methoxybenzoyl)benzoic acid CAS Name: 3-[bis(prop-2-enyl)amino]-4-[(2-methoxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 3-[bis(prop-2-enyl)amino]-4-(2-methoxybenzoyl)benzoic acid Traditional Name: 3-(diallylamino)-4-o-anisoyl-benzoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)C(=O)O)N(CC=C)CC=C

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)C(=O)O)N(CC=C)CC=C

InChI

InChI=1S/C21H21NO4/c1-4-12-22(13-5-2)18-14-15(21(24)25)10-11-16(18)20(23)17-8-6-7-9-19(17)26-3/h4-11,14H,1-2,12-13H2,3H3,(H,24,25)