methyl 4-[[(4-phenyl-1,3-thiazol-2-yl)-propyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-phenyl-1,3-thiazol-2-yl)-propyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-phenylthiazol-2-yl)-propyl-amino]methyl]benzoate CAS Name: 4-[[(4-phenyl-2-thiazolyl)-propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoate Traditional Name: 4-[[(4-phenylthiazol-2-yl)-propyl-amino]methyl]benzoic acid methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C(=O)OC)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C(=O)OC)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-3-13-23(14-16-9-11-18(12-10-16)20(24)25-2)21-22-19(15-26-21)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3