5-(3,3-dimethylbutanoylamino)-N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-2-indolecarboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-(2-fluorobenzyl)-N-p-phenetyl-indole-2-carboxamide Formula: C30H32FN3O3 MolecularWeight: 501.591783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC=C4F)C=CC(=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2CC4=CC=CC=C4F)C=CC(=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C30H32FN3O3/c1-5-37-24-13-10-22(11-14-24)33-29(36)27-17-21-16-23(32-28(35)18-30(2,3)4)12-15-26(21)34(27)19-20-8-6-7-9-25(20)31/h6-17H,5,18-19H2,1-4H3,(H,32,35)(H,33,36)