(E)-3-(5-methoxy-1-methyl-4-oxidanyl-2-phenyl-3-propyl-indol-7-yl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(5-methoxy-1-methyl-4-oxidanyl-2-phenyl-3-propyl-indol-7-yl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxy-5-methoxy-1-methyl-2-phenyl-3-propyl-indol-7-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(4-hydroxy-5-methoxy-1-methyl-2-phenyl-3-propyl-7-indolyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxy-5-methoxy-1-methyl-2-phenyl-3-propylindol-7-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(4-hydroxy-5-methoxy-1-methyl-2-phenyl-3-propyl-indol-7-yl)-2-methyl-acrylic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C1C(=C(C=C2C=C(C)C(=O)O)OC)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(N(C2=C1C(=C(C=C2/C=C(\C)/C(=O)O)OC)O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-5-9-17-19-21(24(3)20(17)15-10-7-6-8-11-15)16(12-14(2)23(26)27)13-18(28-4)22(19)25/h6-8,10-13,25H,5,9H2,1-4H3,(H,26,27)/b14-12+