N,N-diethylethanamine; 3-oxidanyl-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 3-oxidanyl-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-phenethyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid; triethylamine Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CCC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CCC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C22H21NO3.C6H15N/c24-21-18(13-10-14-6-2-1-3-7-14)23-20-16-9-5-4-8-15(16)11-12-17(20)19(21)22(25)26;1-4-7(5-2)6-3/h1-3,6-7,11-12,24H,4-5,8-10,13H2,(H,25,26);4-6H2,1-3H3