3-(1H-indol-3-yl)-2-[[3-oxidanylidene-3-(4-pentoxyphenyl)propyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-oxidanylidene-3-(4-pentoxyphenyl)propyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-oxo-3-(4-pentoxyphenyl)propyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-oxo-3-(4-pentoxyphenyl)propyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-oxo-3-(4-pentoxyphenyl)propyl]amino]propanoic acid Traditional Name: 2-[[3-(4-amoxyphenyl)-3-keto-propyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCNC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C25H30N2O4/c1-2-3-6-15-31-20-11-9-18(10-12-20)24(28)13-14-26-23(25(29)30)16-19-17-27-22-8-5-4-7-21(19)22/h4-5,7-12,17,23,26-27H,2-3,6,13-16H2,1H3,(H,29,30)