[5-[2-(methylamino)ethyl]-1-oxidanyl-cyclohexa-2,4-dien-1-yl] 4-methylbenzoate

Systemtic Name: [5-[2-(methylamino)ethyl]-1-oxidanyl-cyclohexa-2,4-dien-1-yl] 4-methylbenzoate Openeye Name: [1-hydroxy-5-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-hydroxy-5-[2-(methylamino)ethyl]-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-hydroxy-5-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-hydroxy-5-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2(CC(=CC=C2)CCNC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2(CC(=CC=C2)CCNC)O

InChI

InChI=1S/C17H21NO3/c1-13-5-7-15(8-6-13)16(19)21-17(20)10-3-4-14(12-17)9-11-18-2/h3-8,10,18,20H,9,11-12H2,1-2H3