3-pyren-1-yl-1H-indole-2-carboxylic acid

Systemtic Name: 3-pyren-1-yl-1H-indole-2-carboxylic acid Openeye Name: 3-pyren-1-yl-1H-indole-2-carboxylic acid CAS Name: 3-(1-pyrenyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-pyren-1-yl-1H-indole-2-carboxylic acid Traditional Name: 3-pyren-1-yl-1H-indole-2-carboxylic acid Formula: C25H15NO2 MolecularWeight: 361.3921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C25H15NO2/c27-25(28)24-23(19-6-1-2-7-20(19)26-24)18-13-11-16-9-8-14-4-3-5-15-10-12-17(18)22(16)21(14)15/h1-13,26H,(H,27,28)