N,N-diethylethanamine; 3-oxidanyl-7-(1H-pyrrol-2-yl)naphthalene-2-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 3-oxidanyl-7-(1H-pyrrol-2-yl)naphthalene-2-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7-(1H-pyrrol-2-yl)naphthalene-2-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7-(1H-pyrrol-2-yl)-2-naphthalenecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7-(1H-pyrrol-2-yl)naphthalene-2-carboxylic acid Traditional Name: 3-hydroxy-7-(1H-pyrrol-2-yl)-2-naphthoic acid; triethylamine Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CNC(=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CNC(=C1)C2=CC3=CC(=C(C=C3C=C2)O)C(=O)O

InChI

InChI=1S/C15H11NO3.C6H15N/c17-14-8-9-3-4-10(13-2-1-5-16-13)6-11(9)7-12(14)15(18)19;1-4-7(5-2)6-3/h1-8,16-17H,(H,18,19);4-6H2,1-3H3