methyl 3-[[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylbenzoate Traditional Name: 3-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N[C@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O3/c1-12-8-9-14(20(24)25-3)10-18(12)22-13(2)19(23)16-11-21-17-7-5-4-6-15(16)17/h4-11,13,21-22H,1-3H3/t13-/m1/s1