6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 6-methyl-4-phenethyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C(=O)O)C(=O)O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C(=O)O)C(=O)O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-9-12(15(19)20)11(8-7-10-5-3-2-4-6-10)13(16(21)22)14(18-9)17(23)24/h2-6,11,18H,7-8H2,1H3,(H,19,20)(H,21,22)(H,23,24)