4-[[[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[[2-(4-tert-butylanilino)-2-oxo-ethyl]-(2-furylmethyl)amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[2-(4-tert-butylanilino)-2-oxoethyl]-(2-furanylmethyl)amino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[[2-(4-tert-butylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[2-(4-tert-butylanilino)-2-keto-ethyl]-(2-furfuryl)amino]methyl]-N-cyclopropyl-benzamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC3CC3)CC4=CC=CO4

InChI

InChI=1S/C28H33N3O3/c1-28(2,3)22-10-12-23(13-11-22)29-26(32)19-31(18-25-5-4-16-34-25)17-20-6-8-21(9-7-20)27(33)30-24-14-15-24/h4-13,16,24H,14-15,17-19H2,1-3H3,(H,29,32)(H,30,33)