tert-butyl 4-[[6-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]-3-methanoyl-indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: tert-butyl 4-[[6-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]-3-methanoyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: tert-butyl 4-[[6-[2-(cyclopropylmethylamino)-2-oxo-ethyl]-3-formyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-formyl-1-indolyl]methyl]-3-methoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-formylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-[2-(cyclopropylmethylamino)-2-keto-ethyl]-3-formyl-indol-1-yl]methyl]-3-methoxy-benzoic acid tert-butyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=C(C3=C2C=C(C=C3)CC(=O)NCC4CC4)C=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN2C=C(C3=C2C=C(C=C3)CC(=O)NCC4CC4)C=O)OC

InChI

InChI=1S/C28H32N2O5/c1-28(2,3)35-27(33)20-8-9-21(25(13-20)34-4)15-30-16-22(17-31)23-10-7-19(11-24(23)30)12-26(32)29-14-18-5-6-18/h7-11,13,16-18H,5-6,12,14-15H2,1-4H3,(H,29,32)