indol-1-ylmethyl 2-[(Z)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-but-2-en-2-yl]-3-propyl-benzoate

Systemtic Name: indol-1-ylmethyl 2-[(Z)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-but-2-en-2-yl]-3-propyl-benzoate Openeye Name: indol-1-ylmethyl 2-[(Z)-1-tert-butoxycarbonylprop-1-enyl]-3-propyl-benzoate CAS Name: 2-[(Z)-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-2-en-2-yl]-3-propylbenzoic acid 1-indolylmethyl ester IUPAC Name: indol-1-ylmethyl 2-[(Z)-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-2-en-2-yl]-3-propylbenzoate Traditional Name: 2-[(Z)-1-tert-butoxycarbonylprop-1-enyl]-3-propyl-benzoic acid indol-1-ylmethyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1C(=CC)C(=O)OC(C)(C)C)C(=O)OCN2C=CC3=CC=CC=C32

Isomeric SMILES

CCCC1=CC=CC(=C1/C(=C/C)/C(=O)OC(C)(C)C)C(=O)OCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C27H31NO4/c1-6-11-20-13-10-14-22(24(20)21(7-2)26(30)32-27(3,4)5)25(29)31-18-28-17-16-19-12-8-9-15-23(19)28/h7-10,12-17H,6,11,18H2,1-5H3/b21-7-