5-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]-1H-indole-2-carboxylic acid Openeye Name: 5-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]-1H-indole-2-carboxylic acid CAS Name: 5-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]-1H-indole-2-carboxylic acid Traditional Name: 5-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]-1H-indole-2-carboxylic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)O)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)O)C(=O)NCC#N

InChI

InChI=1S/C23H23N3O3/c1-14(2)10-19(22(27)25-9-8-24)17-5-3-4-15(11-17)16-6-7-20-18(12-16)13-21(26-20)23(28)29/h3-7,11-14,19,26H,9-10H2,1-2H3,(H,25,27)(H,28,29)