(phenylmethyl) N-[4-[(3R)-5-dodecyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[(3R)-5-dodecyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamate Openeye Name: benzyl N-[4-[(3R)-5-dodecyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamate CAS Name: N-[4-[(3R)-5-dodecyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[(3R)-5-dodecyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamate Traditional Name: N-[4-[(3R)-2-keto-5-lauryl-3,4-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamic acid benzyl ester Formula: C33H47N3O3 MolecularWeight: 533.74458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C2C=CC=CC2=NC(=O)C(N1)CCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=C2C=CC=CC2=NC(=O)[C@H](N1)CCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H47N3O3/c1-2-3-4-5-6-7-8-9-10-14-22-29-28-21-15-16-23-30(28)36-32(37)31(35-29)24-17-18-25-34-33(38)39-26-27-19-12-11-13-20-27/h11-13,15-16,19-21,23,31,35H,2-10,14,17-18,22,24-26H2,1H3,(H,34,38)/t31-/m1/s1