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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2CCC3(CC2)OCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2CCC3(CC2)OCCO3

InChI

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