methyl (2R,3S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-3-methyl-valeric acid methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23NO4/c1-4-13(2)20(21(24)25-3)22-18(23)11-15-12-26-17-10-9-14-7-5-6-8-16(14)19(15)17/h5-10,12-13,20H,4,11H2,1-3H3,(H,22,23)/t13-,20+/m0/s1