N-[(2S)-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: N-[(2S)-1-[2-[(4-methoxyphenyl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[2-(4-methoxyanilino)ethylamino]-2-oxo-ethyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[2-(p-anisidino)ethylamino]ethyl]coumaran-7-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)CCO4

Isomeric SMILES

COC1=CC=C(C=C1)NCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)CCO4

InChI

InChI=1S/C27H29N3O4/c1-33-22-12-10-21(11-13-22)28-15-16-29-27(32)24(18-19-6-3-2-4-7-19)30-26(31)23-9-5-8-20-14-17-34-25(20)23/h2-13,24,28H,14-18H2,1H3,(H,29,32)(H,30,31)/t24-/m0/s1