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

Systemtic Name: 2-[[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-oxidanyl-methyl]-3-methyl-butanoic acid Openeye Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]methyl]-3-methyl-butanoic acid CAS Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]methyl]-3-methylbutanoic acid IUPAC Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]methyl]-3-methylbutanoic acid Traditional Name: 2-[[3-(4-carbomethoxy-2-methoxy-benzyl)-1-propyl-indol-5-yl]-hydroxy-methyl]-3-methyl-butyric acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO6/c1-6-11-28-15-20(12-17-7-8-19(27(32)34-5)14-23(17)33-4)21-13-18(9-10-22(21)28)25(29)24(16(2)3)26(30)31/h7-10,13-16,24-25,29H,6,11-12H2,1-5H3,(H,30,31)