(E)-3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-3-propyl-6-indolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-3-propylindol-6-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[1-(4-carbomethoxy-2-methoxy-benzyl)-3-propyl-indol-6-yl]-2-methyl-acrylic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)C=C(C)C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)/C=C(\C)/C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H27NO5/c1-5-6-19-14-26(15-20-9-8-18(25(29)31-4)13-23(20)30-3)22-12-17(7-10-21(19)22)11-16(2)24(27)28/h7-14H,5-6,15H2,1-4H3,(H,27,28)/b16-11+