methyl 2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]but-3-ynoate

Systemtic Name: methyl 2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]but-3-ynoate Openeye Name: methyl 2-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]but-3-ynoate CAS Name: 2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-3-butynoic acid methyl ester IUPAC Name: methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]but-3-ynoate Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-benzyl]but-3-ynoic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C#C)C(=O)OC)OC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C#C)C(=O)OC)OC2CCCC2

InChI

InChI=1S/C18H22O4/c1-4-14(18(19)21-3)11-13-9-10-16(20-2)17(12-13)22-15-7-5-6-8-15/h1,9-10,12,14-15H,5-8,11H2,2-3H3