[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate Openeye Name: [2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)COC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H20N2O6/c1-28-21(27)18(10-14-11-22-17-5-3-2-4-16(14)17)23-19(25)12-29-20(26)13-6-8-15(24)9-7-13/h2-9,11,18,22,24H,10,12H2,1H3,(H,23,25)/t18-/m0/s1