tert-butyl (1S)-1-[(1R)-1-chloranylethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-1-[(1R)-1-chloranylethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-5-benzyloxy-1-[(1R)-1-chloroethyl]-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-1-[(1R)-1-chloroethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-[(1R)-1-chloroethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-5-benzoxy-1-[(1R)-1-chloroethyl]-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C1C3=CC=CC=C3C(=C2)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

C[C@H]([C@@H]1CN(C2=C1C3=CC=CC=C3C(=C2)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C26H28ClNO3/c1-17(27)21-15-28(25(29)31-26(2,3)4)22-14-23(30-16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)24(21)22/h5-14,17,21H,15-16H2,1-4H3/t17-,21+/m1/s1