4-[[methyl(2-phenylmethoxyethanoyl)amino]-(phenylmethyl)amino]-2-propyl-benzoate

Systemtic Name: 4-[[methyl(2-phenylmethoxyethanoyl)amino]-(phenylmethyl)amino]-2-propyl-benzoate Openeye Name: 4-[benzyl-[(2-benzyloxyacetyl)-methyl-amino]amino]-2-propyl-benzoate CAS Name: 4-[[methyl-(1-oxo-2-phenylmethoxyethyl)amino]-(phenylmethyl)amino]-2-propylbenzoate IUPAC Name: 4-[benzyl-[methyl-(2-phenylmethoxyacetyl)amino]amino]-2-propylbenzoate Traditional Name: 4-[[(2-benzoxyacetyl)-methyl-amino]-benzyl-amino]-2-propyl-benzoate Formula: C27H29N2O4- MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N(CC2=CC=CC=C2)N(C)C(=O)COCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1)N(CC2=CC=CC=C2)N(C)C(=O)COCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C27H30N2O4/c1-3-10-23-17-24(15-16-25(23)27(31)32)29(18-21-11-6-4-7-12-21)28(2)26(30)20-33-19-22-13-8-5-9-14-22/h4-9,11-17H,3,10,18-20H2,1-2H3,(H,31,32)/p-1