N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazole-5-carboxamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazole-5-carboxamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carboxamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-7-[(2-methoxy-1-oxoethyl)amino]-1-phenethyl-5-benzimidazolecarboxamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-7-[(2-methoxyacetyl)amino]-1-phenethylbenzimidazole-5-carboxamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carboxamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)NCC4C5=CC=CC=C5CCO4

Isomeric SMILES

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)NC[C@@H]4C5=CC=CC=C5CCO4

InChI

InChI=1S/C29H30N4O4/c1-36-18-27(34)32-25-16-22(29(35)30-17-26-23-10-6-5-9-21(23)12-14-37-26)15-24-28(25)33(19-31-24)13-11-20-7-3-2-4-8-20/h2-10,15-16,19,26H,11-14,17-18H2,1H3,(H,30,35)(H,32,34)/t26-/m1/s1