2-diethylaminoethyl 3-butoxy-4-[[2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(4-benzyloxyphenyl)-2-(ethylcarbamoylamino)propanoyl]amino]-3-butoxy-benzoate CAS Name: 3-butoxy-4-[[2-(ethylcarbamoylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(ethylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(ethylcarbamoylamino)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C36H48N4O6 MolecularWeight: 632.78952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)NCC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)NCC

InChI

InChI=1S/C36H48N4O6/c1-5-9-22-44-33-25-29(35(42)45-23-21-40(7-3)8-4)17-20-31(33)38-34(41)32(39-36(43)37-6-2)24-27-15-18-30(19-16-27)46-26-28-13-11-10-12-14-28/h10-20,25,32H,5-9,21-24,26H2,1-4H3,(H,38,41)(H2,37,39,43)