4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-2,3-dihydroindole-1-carbaldehyde benzoate

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-2,3-dihydroindole-1-carbaldehyde benzoate Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]indoline-1-carbaldehyde benzoate CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2,3-dihydroindole-1-carboxaldehyde benzoate IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2,3-dihydroindole-1-carbaldehyde benzoate Traditional Name: 4-[3-(homoveratrylamino)-2-hydroxy-propoxy]indoline-1-carbaldehyde benzoate Formula: C29H33N2O7- MolecularWeight: 521.58152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2CCN3C=O)O)OC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2CCN3C=O)O)OC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C22H28N2O5.C7H6O2/c1-27-21-7-6-16(12-22(21)28-2)8-10-23-13-17(26)14-29-20-5-3-4-19-18(20)9-11-24(19)15-25;8-7(9)6-4-2-1-3-5-6/h3-7,12,15,17,23,26H,8-11,13-14H2,1-2H3;1-5H,(H,8,9)/p-1