ethyl 2-[[4-(1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)butan-2-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[4-(1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)butan-2-yl]amino]ethanoate Openeye Name: ethyl 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-(4-phenoxyphenyl)propyl]amino]acetate CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)butan-2-yl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzodioxol-5-yl)-3-(4-phenoxyphenyl)butan-2-yl]amino]acetate Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-(4-phenoxyphenyl)propyl]amino]acetic acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C)C(CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC(C)C(CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H29NO5/c1-3-30-27(29)17-28-19(2)24(15-20-9-14-25-26(16-20)32-18-31-25)21-10-12-23(13-11-21)33-22-7-5-4-6-8-22/h4-14,16,19,24,28H,3,15,17-18H2,1-2H3