4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoic acid IUPAC Name: 4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-4-keto-butyric acid Formula: C26H25ClN2O5 MolecularWeight: 480.9401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)O)CCl)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)O)CCl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25ClN2O5/c1-16(30)28-19-7-8-20-21(11-19)23(34-15-17-5-3-2-4-6-17)12-22-26(20)18(13-27)14-29(22)24(31)9-10-25(32)33/h2-8,11-12,18H,9-10,13-15H2,1H3,(H,28,30)(H,32,33)