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

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[3-(4-phenylmethoxyphenyl)-2-[(phenylmethyl)amino]propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-(benzylamino)-3-(4-benzyloxyphenyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 3-butoxy-4-[[1-oxo-3-(4-phenylmethoxyphenyl)-2-[(phenylmethyl)amino]propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-(benzylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(benzylamino)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C40H49N3O5 MolecularWeight: 651.83416

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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)NCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C40H49N3O5/c1-4-7-25-46-38-28-34(40(45)47-26-24-43(5-2)6-3)20-23-36(38)42-39(44)37(41-29-32-14-10-8-11-15-32)27-31-18-21-35(22-19-31)48-30-33-16-12-9-13-17-33/h8-23,28,37,41H,4-7,24-27,29-30H2,1-3H3,(H,42,44)