methyl 4-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[cyclopropyl-(2,5-dimethoxybenzyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC(COC2=CC=C(C=C2)C(=O)OC)O)C3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC(COC2=CC=C(C=C2)C(=O)OC)O)C3CC3

InChI

InChI=1S/C23H29NO6/c1-27-21-10-11-22(28-2)17(12-21)13-24(18-6-7-18)14-19(25)15-30-20-8-4-16(5-9-20)23(26)29-3/h4-5,8-12,18-19,25H,6-7,13-15H2,1-3H3