prop-2-enyl (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanoate

Systemtic Name: prop-2-enyl (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanoate Openeye Name: allyl (3R)-4-(4-benzylpiperazin-1-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoate CAS Name: (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3R)-4-(4-benzylpiperazin-1-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate Traditional Name: (3R)-4-(4-benzylpiperazino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butyric acid allyl ester Formula: C33H35N3O5 MolecularWeight: 553.6481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C=CCOC(=O)C[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C33H35N3O5/c1-2-20-40-31(37)21-30(32(38)36-18-16-35(17-19-36)22-24-10-4-3-5-11-24)34-33(39)41-23-29-27-14-8-6-12-25(27)26-13-7-9-15-28(26)29/h2-15,29-30H,1,16-23H2,(H,34,39)/t30-/m1/s1