2-[1-(4-bromophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethyl 3-phenylpropanoate

Systemtic Name: 2-[1-(4-bromophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethyl 3-phenylpropanoate Openeye Name: 2-[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2-[1-[(4-bromophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]ethyl ester IUPAC Name: 2-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]ethyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 2-[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethyl ester Formula: C28H26BrNO4 MolecularWeight: 520.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CCOC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CCOC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H26BrNO4/c1-19-24(16-17-34-27(31)15-8-20-6-4-3-5-7-20)25-18-23(33-2)13-14-26(25)30(19)28(32)21-9-11-22(29)12-10-21/h3-7,9-14,18H,8,15-17H2,1-2H3