5-[(4-phenylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(4-phenylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(1-methyl-3-phenyl-propyl)amino]methyl]thiophene-2-carboxylic acid CAS Name: 5-[(4-phenylbutan-2-ylamino)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-phenylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(1-methyl-3-phenyl-propyl)amino]methyl]-2-thenoic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C16H19NO2S/c1-12(7-8-13-5-3-2-4-6-13)17-11-14-9-10-15(20-14)16(18)19/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,18,19)