2-diethylaminoethyl 3-butoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-butoxy-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-butoxy-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C31H45N3O6 MolecularWeight: 555.7055

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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=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H45N3O6/c1-7-10-19-38-27-22-24(29(36)39-20-18-34(8-2)9-3)16-17-25(27)32-28(35)26(21-23-14-12-11-13-15-23)33-30(37)40-31(4,5)6/h11-17,22,26H,7-10,18-21H2,1-6H3,(H,32,35)(H,33,37)