2-[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 2-[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 2-[[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 2-[[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 2-[[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 2-[[2-[5-(1,3-benzodioxol-5-yl)-1H-indol-3-yl]acetyl]amino]-4-methyl-benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O5/c1-14-2-5-18(25(29)30)21(8-14)27-24(28)11-17-12-26-20-6-3-15(9-19(17)20)16-4-7-22-23(10-16)32-13-31-22/h2-10,12,26H,11,13H2,1H3,(H,27,28)(H,29,30)