1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-prop-2-enoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-prop-2-enoxy-indole-2-carboxylic acid Openeye Name: 5-allyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-prop-2-enoxy-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-prop-2-enoxyindole-2-carboxylic acid Traditional Name: 5-allyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C=CCOC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H16ClNO5/c1-2-5-25-14-3-4-16-12(6-14)7-17(20(23)24)22(16)10-13-8-18-19(9-15(13)21)27-11-26-18/h2-4,6-9H,1,5,10-11H2,(H,23,24)