methyl 4-[2-(1,3-benzodioxol-5-yl)-3-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-[[3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-[[1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-3-oxo-propyl]benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]benzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-[[1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-3-keto-propyl]benzoic acid methyl ester Formula: C30H28N2O8 MolecularWeight: 544.55192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)O

InChI

InChI=1S/C30H28N2O8/c1-37-29(35)18-9-7-17(8-10-18)27(33)26(19-11-12-24-25(14-19)40-16-39-24)28(34)32-23(30(36)38-2)13-20-15-31-22-6-4-3-5-21(20)22/h3-12,14-15,23,26-27,31,33H,13,16H2,1-2H3,(H,32,34)