ethyl 3-methyl-2-[[4-[4-[[4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]phenyl]carbonylamino]phenoxy]phenyl]carbamoylamino]butanoate

Systemtic Name: ethyl 3-methyl-2-[[4-[4-[[4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]phenyl]carbonylamino]phenoxy]phenyl]carbamoylamino]butanoate Openeye Name: ethyl 3-methyl-2-[[4-[4-[[4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzoyl]amino]phenoxy]phenyl]carbamoylamino]butanoate CAS Name: 3-methyl-2-[[oxo-[4-[4-[[oxo-[4-[3-(1-pyrrolidinylmethyl)-1-indolyl]phenyl]methyl]amino]phenoxy]anilino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[[4-[4-[[4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzoyl]amino]phenoxy]phenyl]carbamoylamino]butanoate Traditional Name: 3-methyl-2-[[4-[4-[[4-[3-(pyrrolidinomethyl)indol-1-yl]benzoyl]amino]phenoxy]phenyl]carbamoylamino]butyric acid ethyl ester Formula: C40H43N5O5 MolecularWeight: 673.79992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=C(C5=CC=CC=C54)CN6CCCC6

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=C(C5=CC=CC=C54)CN6CCCC6

InChI

InChI=1S/C40H43N5O5/c1-4-49-39(47)37(27(2)3)43-40(48)42-31-15-21-34(22-16-31)50-33-19-13-30(14-20-33)41-38(46)28-11-17-32(18-12-28)45-26-29(25-44-23-7-8-24-44)35-9-5-6-10-36(35)45/h5-6,9-22,26-27,37H,4,7-8,23-25H2,1-3H3,(H,41,46)(H2,42,43,48)