ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxy-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxy-indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxy-indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxyindole-2-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propoxy-indole-2-carboxylic acid ethyl ester Formula: C28H26ClNO5 MolecularWeight: 491.96274

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)OCC)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)OCC)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C28H26ClNO5/c1-3-12-33-20-10-11-23-21(14-20)26(18-8-6-5-7-9-18)27(28(31)32-4-2)30(23)16-19-13-24-25(15-22(19)29)35-17-34-24/h5-11,13-15H,3-4,12,16-17H2,1-2H3