3-(1H-indol-3-yl)-2-[[(E)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(E)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[(E)-(2-oxo-1-naphthylidene)methyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(E)-(2-oxo-1-naphthalenylidene)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[(E)-(2-keto-1-naphthylidene)methyl]amino]propionic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=CNC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C\2C(=C1)C=CC(=O)/C2=C/NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H18N2O3/c25-21-10-9-14-5-1-2-6-16(14)18(21)13-24-20(22(26)27)11-15-12-23-19-8-4-3-7-17(15)19/h1-10,12-13,20,23-24H,11H2,(H,26,27)/b18-13+