methyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(1,1,3,3-tetramethylbutylamino)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(1,1,3,3-tetramethylbutylamino)methyl]-2-furyl]benzoic acid methyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H29NO3/c1-20(2,3)14-21(4,5)22-13-17-11-12-18(25-17)15-7-9-16(10-8-15)19(23)24-6/h7-12,22H,13-14H2,1-6H3