methanoyl 2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methanoyl 2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: formyl 2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-[3-(methylamino)-1-oxopropyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester IUPAC Name: formyl 2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-[3-(methylamino)propanoyl]-3-propyl-4-(1,2,4-triazol-1-ylmethyl)benzoic acid formyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C(=O)CCNC)C(=O)OC=O)CN2C=NC=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1C(=O)CCNC)C(=O)OC=O)CN2C=NC=N2

InChI

InChI=1S/C18H22N4O4/c1-3-4-14-13(9-22-11-20-10-21-22)5-6-15(18(25)26-12-23)17(14)16(24)7-8-19-2/h5-6,10-12,19H,3-4,7-9H2,1-2H3