3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methyl-benzoic acid Openeye Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methyl-benzoic acid CAS Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylbenzoic acid IUPAC Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylbenzoic acid Traditional Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methyl-benzoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2CCC3(CC2)OCCO3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC2CCC3(CC2)OCCO3)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11-13(15(18)19)3-2-4-14(11)17-12-5-7-16(8-6-12)20-9-10-21-16/h2-4,12,17H,5-10H2,1H3,(H,18,19)