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

Systemtic Name: 2-diethylaminoethyl 4-[[2-azanyl-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-amino-3-(4-benzyloxyphenyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 4-[[2-amino-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate Traditional Name: 4-[[2-amino-3-(4-benzoxyphenyl)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C33H43N3O5 MolecularWeight: 561.71162

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C33H43N3O5/c1-4-7-20-39-31-23-27(33(38)40-21-19-36(5-2)6-3)15-18-30(31)35-32(37)29(34)22-25-13-16-28(17-14-25)41-24-26-11-9-8-10-12-26/h8-18,23,29H,4-7,19-22,24,34H2,1-3H3,(H,35,37)