methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N2O5/c1-33-28(32)24(14-20-16-29-23-10-6-5-9-21(20)23)30-27(31)22(13-18-7-3-2-4-8-18)19-11-12-25-26(15-19)35-17-34-25/h2-12,15-16,22,24,29H,13-14,17H2,1H3,(H,30,31)