2-azanyl-5-[[3-[2-(tert-butylamino)-3-oxidanyl-propanoyl]phenyl]methoxy]-1-methyl-indole-3-carbonitrile

Systemtic Name: 2-azanyl-5-[[3-[2-(tert-butylamino)-3-oxidanyl-propanoyl]phenyl]methoxy]-1-methyl-indole-3-carbonitrile Openeye Name: 2-amino-5-[[3-[2-(tert-butylamino)-3-hydroxy-propanoyl]phenyl]methoxy]-1-methyl-indole-3-carbonitrile CAS Name: 2-amino-5-[[3-[2-(tert-butylamino)-3-hydroxy-1-oxopropyl]phenyl]methoxy]-1-methyl-3-indolecarbonitrile IUPAC Name: 2-amino-5-[[3-[2-(tert-butylamino)-3-hydroxypropanoyl]phenyl]methoxy]-1-methylindole-3-carbonitrile Traditional Name: 2-amino-5-[3-[2-(tert-butylamino)-3-hydroxy-propanoyl]benzyl]oxy-1-methyl-indole-3-carbonitrile Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CO)C(=O)C1=CC(=CC=C1)COC2=CC3=C(C=C2)N(C(=C3C#N)N)C

Isomeric SMILES

CC(C)(C)NC(CO)C(=O)C1=CC(=CC=C1)COC2=CC3=C(C=C2)N(C(=C3C#N)N)C

InChI

InChI=1S/C24H28N4O3/c1-24(2,3)27-20(13-29)22(30)16-7-5-6-15(10-16)14-31-17-8-9-21-18(11-17)19(12-25)23(26)28(21)4/h5-11,20,27,29H,13-14,26H2,1-4H3