N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]propanamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]propionamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-3-28-20-12-17-11-15(2)29-19(17)13-18(20)25-21(26)9-10-23-22(27)24-14-16-7-5-4-6-8-16/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H,25,26)(H2,23,24,27)/t15-/m0/s1