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

Systemtic Name: 2-[[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-oxidanyl-methyl]-4-oxidanylidene-4-(propylamino)butanoic acid Openeye Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]methyl]-4-oxo-4-(propylamino)butanoic acid CAS Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]methyl]-4-oxo-4-(propylamino)butanoic acid IUPAC Name: 2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]methyl]-4-oxo-4-(propylamino)butanoic acid Traditional Name: 2-[[3-(4-carbomethoxy-2-methoxy-benzyl)-1-propyl-indol-5-yl]-hydroxy-methyl]-4-keto-4-(propylamino)butyric acid Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CC(C(C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CCC)O)C(=O)O

Isomeric SMILES

CCCNC(=O)CC(C(C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)OC)OC)CCC)O)C(=O)O

InChI

InChI=1S/C29H36N2O7/c1-5-11-30-26(32)16-23(28(34)35)27(33)19-9-10-24-22(14-19)21(17-31(24)12-6-2)13-18-7-8-20(29(36)38-4)15-25(18)37-3/h7-10,14-15,17,23,27,33H,5-6,11-13,16H2,1-4H3,(H,30,32)(H,34,35)