4-[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-methyl-benzoic acid Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H16ClNO5/c1-10-6-12(18(22)23)2-3-14(10)20-16(21)9-11-7-13(19)17-15(8-11)24-4-5-25-17/h2-3,6-8H,4-5,9H2,1H3,(H,20,21)(H,22,23)