3-(1H-indol-3-yl)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]propanoate

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]propanoate Openeye Name: 3-(1H-indol-3-yl)-2-[[3-(4-isopentyloxyphenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]ammonio]propanoate IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azaniumyl]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[3-(4-isoamoxyphenyl)-3-keto-propyl]ammonio]propionate Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C25H30N2O4/c1-17(2)12-14-31-20-9-7-18(8-10-20)24(28)11-13-26-23(25(29)30)15-19-16-27-22-6-4-3-5-21(19)22/h3-10,16-17,23,26-27H,11-15H2,1-2H3,(H,29,30)