(E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-3H-benzofuran-5-yl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-3H-benzofuran-5-yl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(7-methoxy-2,2-dimethyl-coumaran-5-yl)acrylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC(=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC(=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C21H21NO5/c1-21(2)12-15-9-13(11-17(26-3)18(15)27-21)10-16(20(24)25)22-19(23)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,22,23)(H,24,25)/b16-10+