methyl 2-[[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[4-[1H-indol-2-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C21H28N4O4/c1-4-14(2)18(20(27)29-3)23-21(28)25-11-9-24(10-12-25)19(26)17-13-15-7-5-6-8-16(15)22-17/h5-8,13-14,18,22H,4,9-12H2,1-3H3,(H,23,28)