methyl 2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoylamino]benzoate Openeye Name: methyl 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoylamino]benzoate CAS Name: 2-[[[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoylamino]benzoate Traditional Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoylamino]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-28-19(25)15-8-4-6-10-17(15)23-21(27)24-18(20(26)29-2)11-13-12-22-16-9-5-3-7-14(13)16/h3-10,12,18,22H,11H2,1-2H3,(H2,23,24,27)/t18-/m0/s1