methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxidanylidene-4-(4-propoxyphenyl)butanoyl]amino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]propanoate CAS Name: (2R)-2-[[1,4-dioxo-4-(4-propoxyphenyl)butyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-keto-4-(4-propoxyphenyl)butanoyl]amino]propionic acid methyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C25H28N2O5/c1-3-14-32-19-10-8-17(9-11-19)23(28)12-13-24(29)27-22(25(30)31-2)15-18-16-26-21-7-5-4-6-20(18)21/h4-11,16,22,26H,3,12-15H2,1-2H3,(H,27,29)/t22-/m1/s1