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

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[3-(4-phenylmethoxyphenyl)-2-(propan-2-ylamino)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(4-benzyloxyphenyl)-2-(isopropylamino)propanoyl]amino]-3-butoxy-benzoate CAS Name: 3-butoxy-4-[[1-oxo-3-(4-phenylmethoxyphenyl)-2-(propan-2-ylamino)propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[3-(4-phenylmethoxyphenyl)-2-(propan-2-ylamino)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(isopropylamino)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C36H49N3O5 MolecularWeight: 603.79136

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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(C)C

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(C)C

InChI

InChI=1S/C36H49N3O5/c1-6-9-22-42-34-25-30(36(41)43-23-21-39(7-2)8-3)17-20-32(34)38-35(40)33(37-27(4)5)24-28-15-18-31(19-16-28)44-26-29-13-11-10-12-14-29/h10-20,25,27,33,37H,6-9,21-24,26H2,1-5H3,(H,38,40)