2-[[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-oxidanyl-methyl]butanoic acid

Systemtic Name: 2-[[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-oxidanyl-methyl]butanoic acid Openeye Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]methyl]butanoic acid CAS Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]methyl]butanoic acid IUPAC Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]methyl]butanoic acid Traditional Name: 2-[[3-(4-carbomethoxy-2-methoxy-benzyl)-1-propyl-indol-5-yl]-hydroxy-methyl]butyric acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C(C(CC)C(=O)O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C(C(CC)C(=O)O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C26H31NO6/c1-5-11-27-15-19(12-16-7-8-18(26(31)33-4)14-23(16)32-3)21-13-17(9-10-22(21)27)24(28)20(6-2)25(29)30/h7-10,13-15,20,24,28H,5-6,11-12H2,1-4H3,(H,29,30)