N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-phenethyl-indole-2-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-phenethyl-indole-2-carboxamide Openeye Name: N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-phenethyl-indole-2-carboxamide CAS Name: N-(4-acetamidophenyl)-5-[(3,3-dimethyl-1-oxobutyl)amino]-1-phenethyl-2-indolecarboxamide IUPAC Name: N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-phenethylindole-2-carboxamide Traditional Name: N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-phenethyl-indole-2-carboxamide Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2CCC4=CC=CC=C4)C=CC(=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2CCC4=CC=CC=C4)C=CC(=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C31H34N4O3/c1-21(36)32-24-10-12-25(13-11-24)34-30(38)28-19-23-18-26(33-29(37)20-31(2,3)4)14-15-27(23)35(28)17-16-22-8-6-5-7-9-22/h5-15,18-19H,16-17,20H2,1-4H3,(H,32,36)(H,33,37)(H,34,38)